NP-MRD: Showing NP-Card for Stearic acid (NP0001132)

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Record Information

Version

2.0

Created at

2005-11-16 15:48:42 UTC

Updated at

2024-09-03 04:17:10 UTC

NP-MRD ID

NP0001132

Natural Product DOI

https://doi.org/10.57994/0944

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Stearic acid

Description

Stearic acid, also known as octadecanoic acid or C18:0, Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Stearic acid (its ester is called stearate) is a saturated fatty acid that has 18 carbons and is therefore a very hydrophobic molecule that is practically insoluble in water. It exists as a waxy solid. In terms of its biosynthesis, stearic acid is produced from carbohydrates via the fatty acid synthesis machinery wherein acetyl-CoA contributes two-carbon building blocks, up to the 16-carbon palmitate, via the enzyme complex fatty acid synthase (FA synthase), at which point a fatty acid elongase is needed to further lengthen it. After synthesis, there are a variety of reactions it may undergo, including desaturation to oleate via stearoyl-CoA desaturase (PMID: 16477801 ). Stearic acid is found in all living organisms ranging from bacteria to plants to animals. It is one of the useful types of saturated fatty acids that comes from many animal and vegetable fats and oils. For example, it is a component of cocoa butter and shea butter. It is used as a food additive, in cleaning and personal care products, and in lubricants. Its name comes from the Greek word stear, which means ‘tallow’ or ‘hard fat’.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0000827
     RDKit          3D
Stearic acid
 56 55  0  0  0  0  0  0  0  0999 V2000
   -7.3518   -1.0857   -1.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2954   -0.0090   -1.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7614   -0.1457    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7097    0.9152    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5463    0.7967   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352    1.8797   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    1.8159    1.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.5985    1.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1086    0.0850    1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -0.3820   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861   -0.9072   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    0.1114   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.3999   -1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -1.5566   -0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719   -1.2547    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3123   -0.1887    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7222   -0.2333    0.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9823   -0.2578   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3072   -1.2648   -1.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680    0.9368   -1.4287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2489   -1.8911   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2449   -1.5213   -2.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3647   -0.6175   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7004    1.0040   -1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4821   -0.2126   -1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5965   -0.0470    1.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2954   -1.1683    0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3747    0.7482    1.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1862    1.8990    0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9078    0.9747   -1.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1148   -0.2267   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588    2.1200   -0.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2063    2.8464   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264    2.7300    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565    2.0013    2.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102   -0.2116    1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972    0.7865    2.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.9262    1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -0.7749    1.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311   -1.2733   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    0.3004   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -1.7879   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -1.2760   -1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    0.6281    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402    0.9244   -1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -0.7577   -2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142    0.3853   -1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2180   -2.3342   -0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172   -2.0401   -1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3736   -0.9787    1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6213   -2.2080    1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    0.8406    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -0.1060    2.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006    0.7349    1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239   -1.0062    1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5491    1.1355   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 12 44  1  0
 12 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 16 52  1  0
 16 53  1  0
 17 54  1  0
 17 55  1  0
 20 56  1  0
M  END


  Mrv1652309272007362D          

 20 19  0  0  0  0            999 V2000
   22.0460    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3314    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6169    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9026    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1881    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4735    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7590    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0447    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3301    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6156    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9012    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1868    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4722    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7577    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0434    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3288    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6143    4.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    5.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1854    4.8908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8999    6.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0001132

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

> <INCHI_KEY>
QIQXTHQIDYTFRH-UHFFFAOYSA-N

> <FORMULA>
C18H36O2

> <MOLECULAR_WEIGHT>
284.4772

> <EXACT_MASS>
284.271530396

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
38.635591048723384

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecanoic acid

> <ALOGPS_LOGP>
8.02

> <JCHEM_LOGP>
7.145720107666667

> <ALOGPS_LOGS>
-6.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
86.28559999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.61e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stearic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000827
     RDKit          3D
Stearic acid
 56 55  0  0  0  0  0  0  0  0999 V2000
   -7.3518   -1.0857   -1.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2954   -0.0090   -1.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7614   -0.1457    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7097    0.9152    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5463    0.7967   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352    1.8797   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    1.8159    1.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.5985    1.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1086    0.0850    1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -0.3820   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861   -0.9072   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    0.1114   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.3999   -1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -1.5566   -0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719   -1.2547    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3123   -0.1887    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7222   -0.2333    0.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9823   -0.2578   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3072   -1.2648   -1.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680    0.9368   -1.4287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2489   -1.8911   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2449   -1.5213   -2.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3647   -0.6175   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7004    1.0040   -1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4821   -0.2126   -1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5965   -0.0470    1.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2954   -1.1683    0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3747    0.7482    1.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1862    1.8990    0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9078    0.9747   -1.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1148   -0.2267   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588    2.1200   -0.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2063    2.8464   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264    2.7300    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565    2.0013    2.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102   -0.2116    1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972    0.7865    2.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.9262    1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -0.7749    1.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311   -1.2733   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    0.3004   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -1.7879   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -1.2760   -1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    0.6281    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402    0.9244   -1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -0.7577   -2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142    0.3853   -1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2180   -2.3342   -0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172   -2.0401   -1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3736   -0.9787    1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6213   -2.2080    1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    0.8406    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -0.1060    2.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006    0.7349    1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239   -1.0062    1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5491    1.1355   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 12 44  1  0
 12 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 16 52  1  0
 16 53  1  0
 17 54  1  0
 17 55  1  0
 20 56  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0      41.153   9.129   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      39.819   9.899   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      38.485   9.129   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      37.152   9.899   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      35.818   9.129   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      34.484   9.899   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      33.150   9.129   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      31.817   9.899   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      30.483   9.129   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.149   9.899   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      27.816   9.129   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      26.482   9.899   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      25.148   9.129   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      23.814   9.899   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      22.481   9.129   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.147   9.899   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.813   9.129   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.480   9.899   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      17.146   9.129   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      18.480  11.439   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0000827
HETATM    1  C1  UNL     1      -7.352  -1.086  -1.313  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.295  -0.009  -1.080  1.00  0.00           C  
HETATM    3  C3  UNL     1      -5.761  -0.146   0.324  1.00  0.00           C  
HETATM    4  C4  UNL     1      -4.710   0.915   0.596  1.00  0.00           C  
HETATM    5  C5  UNL     1      -3.546   0.797  -0.354  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.535   1.880  -0.046  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.986   1.816   1.323  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.315   0.598   1.806  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.109   0.085   1.136  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.231  -0.382  -0.254  1.00  0.00           C  
HETATM   11  C11 UNL     1       1.086  -0.907  -0.808  1.00  0.00           C  
HETATM   12  C12 UNL     1       2.173   0.111  -0.832  1.00  0.00           C  
HETATM   13  C13 UNL     1       3.473  -0.400  -1.405  1.00  0.00           C  
HETATM   14  C14 UNL     1       4.064  -1.557  -0.647  1.00  0.00           C  
HETATM   15  C15 UNL     1       4.372  -1.255   0.765  1.00  0.00           C  
HETATM   16  C16 UNL     1       5.312  -0.189   1.113  1.00  0.00           C  
HETATM   17  C17 UNL     1       6.722  -0.233   0.717  1.00  0.00           C  
HETATM   18  C18 UNL     1       6.982  -0.258  -0.722  1.00  0.00           C  
HETATM   19  O1  UNL     1       7.307  -1.265  -1.407  1.00  0.00           O  
HETATM   20  O2  UNL     1       6.868   0.937  -1.429  1.00  0.00           O  
HETATM   21  H1  UNL     1      -7.249  -1.891  -0.579  1.00  0.00           H  
HETATM   22  H2  UNL     1      -7.245  -1.521  -2.323  1.00  0.00           H  
HETATM   23  H3  UNL     1      -8.365  -0.618  -1.251  1.00  0.00           H  
HETATM   24  H4  UNL     1      -6.700   1.004  -1.225  1.00  0.00           H  
HETATM   25  H5  UNL     1      -5.482  -0.213  -1.827  1.00  0.00           H  
HETATM   26  H6  UNL     1      -6.596  -0.047   1.046  1.00  0.00           H  
HETATM   27  H7  UNL     1      -5.295  -1.168   0.428  1.00  0.00           H  
HETATM   28  H8  UNL     1      -4.375   0.748   1.661  1.00  0.00           H  
HETATM   29  H9  UNL     1      -5.186   1.899   0.517  1.00  0.00           H  
HETATM   30  H10 UNL     1      -3.908   0.975  -1.404  1.00  0.00           H  
HETATM   31  H11 UNL     1      -3.115  -0.227  -0.270  1.00  0.00           H  
HETATM   32  H12 UNL     1      -1.859   2.120  -0.866  1.00  0.00           H  
HETATM   33  H13 UNL     1      -3.206   2.846  -0.022  1.00  0.00           H  
HETATM   34  H14 UNL     1      -1.326   2.730   1.488  1.00  0.00           H  
HETATM   35  H15 UNL     1      -2.856   2.001   2.038  1.00  0.00           H  
HETATM   36  H16 UNL     1      -2.110  -0.212   1.891  1.00  0.00           H  
HETATM   37  H17 UNL     1      -1.097   0.787   2.919  1.00  0.00           H  
HETATM   38  H18 UNL     1       0.662   0.926   1.176  1.00  0.00           H  
HETATM   39  H19 UNL     1       0.288  -0.775   1.752  1.00  0.00           H  
HETATM   40  H20 UNL     1      -0.931  -1.273  -0.257  1.00  0.00           H  
HETATM   41  H21 UNL     1      -0.652   0.300  -1.001  1.00  0.00           H  
HETATM   42  H22 UNL     1       1.343  -1.788  -0.180  1.00  0.00           H  
HETATM   43  H23 UNL     1       0.860  -1.276  -1.828  1.00  0.00           H  
HETATM   44  H24 UNL     1       2.331   0.628   0.138  1.00  0.00           H  
HETATM   45  H25 UNL     1       1.840   0.924  -1.534  1.00  0.00           H  
HETATM   46  H26 UNL     1       3.210  -0.758  -2.445  1.00  0.00           H  
HETATM   47  H27 UNL     1       4.214   0.385  -1.537  1.00  0.00           H  
HETATM   48  H28 UNL     1       3.218  -2.334  -0.607  1.00  0.00           H  
HETATM   49  H29 UNL     1       4.817  -2.040  -1.256  1.00  0.00           H  
HETATM   50  H30 UNL     1       3.374  -0.979   1.247  1.00  0.00           H  
HETATM   51  H31 UNL     1       4.621  -2.208   1.343  1.00  0.00           H  
HETATM   52  H32 UNL     1       4.898   0.841   0.832  1.00  0.00           H  
HETATM   53  H33 UNL     1       5.286  -0.106   2.258  1.00  0.00           H  
HETATM   54  H34 UNL     1       7.201   0.735   1.088  1.00  0.00           H  
HETATM   55  H35 UNL     1       7.324  -1.006   1.269  1.00  0.00           H  
HETATM   56  H36 UNL     1       7.549   1.136  -2.148  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3   24   25
CONECT    3    4   26   27
CONECT    4    5   28   29
CONECT    5    6   30   31
CONECT    6    7   32   33
CONECT    7    8   34   35
CONECT    8    9   36   37
CONECT    9   10   38   39
CONECT   10   11   40   41
CONECT   11   12   42   43
CONECT   12   13   44   45
CONECT   13   14   46   47
CONECT   14   15   48   49
CONECT   15   16   50   51
CONECT   16   17   52   53
CONECT   17   18   54   55
CONECT   18   19   19   20
CONECT   20   56
END

HMDB0000827
     RDKit          3D
Stearic acid
 56 55  0  0  0  0  0  0  0  0999 V2000
   -7.3518   -1.0857   -1.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2954   -0.0090   -1.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7614   -0.1457    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7097    0.9152    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5463    0.7967   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5352    1.8797   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860    1.8159    1.3226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3147    0.5985    1.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1086    0.0850    1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -0.3820   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0861   -0.9072   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    0.1114   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.3999   -1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -1.5566   -0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719   -1.2547    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3123   -0.1887    1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7222   -0.2333    0.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9823   -0.2578   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3072   -1.2648   -1.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8680    0.9368   -1.4287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2489   -1.8911   -0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2449   -1.5213   -2.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3647   -0.6175   -1.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7004    1.0040   -1.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4821   -0.2126   -1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5965   -0.0470    1.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2954   -1.1683    0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3747    0.7482    1.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1862    1.8990    0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9078    0.9747   -1.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1148   -0.2267   -0.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8588    2.1200   -0.8662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2063    2.8464   -0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264    2.7300    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8565    2.0013    2.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102   -0.2116    1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0972    0.7865    2.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6618    0.9262    1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884   -0.7749    1.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311   -1.2733   -0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522    0.3004   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -1.7879   -0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595   -1.2760   -1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    0.6281    0.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8402    0.9244   -1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2100   -0.7577   -2.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2142    0.3853   -1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2180   -2.3342   -0.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172   -2.0401   -1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3736   -0.9787    1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6213   -2.2080    1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    0.8406    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -0.1060    2.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006    0.7349    1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239   -1.0062    1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5491    1.1355   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 12 44  1  0
 12 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 15 50  1  0
 15 51  1  0
 16 52  1  0
 16 53  1  0
 17 54  1  0
 17 55  1  0
 20 56  1  0
M  END

View in JSmol

Synonyms

Value	Source
18:0	ChEBI
Acide octadecanoique	ChEBI
Acide stearique	ChEBI
C18:0	ChEBI
CH3-[CH2]16-COOH	ChEBI
N-Octadecanoic acid	ChEBI
Octadecansaeure	ChEBI
Octadecoic acid	ChEBI
Oktadekansaeure	ChEBI
Stearinsaeure	ChEBI
Stearate	Kegg
N-Octadecanoate	Generator
Octadecoate	Generator
Octadecanoic acid	HMDB
Octadecanoate	HMDB
1-Heptadecanecarboxylate	HMDB
1-Heptadecanecarboxylic acid	HMDB
Stearex beads	HMDB
Stearic acid cherry	HMDB
Stearophanate	HMDB
Stearophanic acid	HMDB
Calcium stearate	HMDB
Aluminum tristearate	HMDB
Ammonium stearate	HMDB
Zinc stearate	HMDB
Magnesium stearate	HMDB
Sodium stearate	HMDB
Aluminum monostearate	HMDB
FA(18:0)	HMDB

Chemical Formula

C₁₈H₃₆O₂

Average Mass

284.4772 Da

Monoisotopic Mass

284.27153 Da

IUPAC Name

octadecanoic acid

Traditional Name

stearic acid

CAS Registry Number

57-11-4

SMILES

CCCCCCCCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)

InChI Key

QIQXTHQIDYTFRH-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D_DEPT NMR	¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-05-09	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2023-09-21	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2023-09-21	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2023-09-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2023-09-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2023-09-21	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl₃, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600, CD₃OD, simulated)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-05-09	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	v.dorna83@yahoo.com	Not Available	Not Available	2021-07-25	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Abelmoschus esculentus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Abies pinsapo	LOTUS Database	35616633
Abramis brama	FooDB	DTU Food
Abutilon indicum	Plant	KNApSAcK
Abutilon ramosum	LOTUS Database	35616633
Acacia auriculiformis	LOTUS Database	35616633
Acacia polyacantha	LOTUS Database	35616633
Acanthopanax gracilistylus	KNApSAcK Database	22123792
Acanthopanax senticosus	KNApSAcK Database	22123792
Acanthophora spicifera	LOTUS Database	35616633
Achillea fragrantissima	LOTUS Database	35616633
Achillea moschata	LOTUS Database	35616633
Achyranthes aspera	LOTUS Database	35616633
Acipenseridae	FooDB	DTU Food
Acmella paniculata	LOTUS Database	35616633
Aconitum japonicum	LOTUS Database	35616633
Acorus calamus	LOTUS Database	35616633
Actinidia chinensis	FooDB	DTU Food
Aegle marmelos	Plant	KNApSAcK
Aesculus hippocastanum	LOTUS Database	35616633
Aesculus hippocastanum L.	KNApSAcK Database	22123792
Agaricus bisporus	FooDB	DTU Food
Agave	FooDB	FooDB
Agave americana	LOTUS Database	35616633
Agelas conifera	LOTUS Database	35616633
Ailanthus triphysus	LOTUS Database	35616633
Alchemilla pentaphyllea	LOTUS Database	35616633
Allium ampeloprasum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium cepa L.	FooDB	DTU Food
Allium fistulosum	FooDB	FooDB
Allium hirtifolium	Plant	KNApSAcK
Allium sativum	FooDB	DTU Food
Allium schoenoprasum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium tuberosum	FooDB	FooDB
Aloe vera var.chinensis	KNApSAcK Database	22123792
Aloysia triphylla	FooDB	FooDB
Althaea officinalis	LOTUS Database	35616633
Amaranthus	FooDB	USDA
Amaranthus caudatus	LOTUS Database	35616633
Amaranthus paniculatus	LOTUS Database	35616633
Amaranthus retroflexus	LOTUS Database	35616633
Amelanchier alnifolia	FooDB	FooDB
Amphimedon compressa	LOTUS Database	35616633
Anacardium occidentale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ananas comosus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Anaphalis lactea	LOTUS Database	35616633
Anarhichas lupus	FooDB	DTU Food
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	DTU Food
Anethum graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Angelica keiskei	FooDB	FooDB
Angelica pubescens	LOTUS Database	35616633
Anguilliformes	FooDB	DTU Food
Anisomeles indica	KNApSAcK Database	22123792
Anisophyllea laurina	LOTUS Database	35616633
Annona cherimola	FooDB	DTU Food
Annona macroprophyllata	LOTUS Database	35616633
Annona muricata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Annona reticulata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Annona squamosa	FooDB	FooDB
Anser anser	FooDB	FooDB
Anthriscus cerefolium	FooDB	DTU Food
Aphanamixis polystachya	LOTUS Database	35616633
Apios americana	LOTUS Database	35616633
Apis cerana	LOTUS Database	35616633
Apium graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	DTU Food
Apium graveolens var. secalinum	FooDB	DTU Food
Aplysina fistularis	LOTUS Database	35616633
Arabidopsis thaliana	KNApSAcK Database	22123792
Arachis hypogaea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Arbacia punctulata	LOTUS Database	35616633
Arctium lappa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Areca catechu	KNApSAcK Database	22123792
Arisaema tortuosum	LOTUS Database	35616633
Armoracia rusticana	FooDB	DTU Food
Arnica montana	LOTUS Database	35616633
Artemisia capillaris	KNApSAcK Database	22123792
Artemisia dracunculus	FooDB	FooDB
Artemisia monosperma	LOTUS Database	35616633
Artemisia splendens	LOTUS Database	35616633
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Artocarpus heterophyllus	FooDB	FooDB
Asparagus adscendens	LOTUS Database	35616633
Asparagus officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Asplenium indicum	LOTUS Database	35616633
Asplenium laciniatum	KNApSAcK Database	22123792
Astacidea	FooDB	DTU Food
Astragalus hamosus	LOTUS Database	35616633
Attalea colenda	LOTUS Database	35616633
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	DTU Food
Averrhoa carambola	KNApSAcK Database	22123792
Azima tetracantha	LOTUS Database	35616633
Basella alba	FooDB	FooDB
Bellis perennis	LOTUS Database	35616633
Belone belone	FooDB	DTU Food
Benincasa hispida	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Bergera koenegii	-	KNApSAcK
Bertholletia excelsa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	DTU Food
Bison bison	FooDB	FooDB
Bocconia frutescens	LOTUS Database	35616633
Boehmeria holosericea	KNApSAcK Database	22123792
Boehmeria tricuspis	KNApSAcK Database	22123792
Boerhavia diffusa	LOTUS Database	35616633
Bongardia chrysogonum	LOTUS Database	35616633
Borago officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Bos taurus	FooDB	DTU Food
Bos taurus X Bison bison	FooDB	USDA
Brachyura	FooDB	DTU Food
Brassica alboglabra	FooDB	FooDB
Brassica hirta	KNApSAcK Database	22123792
Brassica juncea	FooDB	USDA
Brassica napus	FooDB	DTU Food
Brassica napus var. napus	FooDB	DTU Food
Brassica oleracea	FooDB	DTU Food
Brassica oleracea var. botrytis	FooDB	DTU Food
Brassica oleracea var. capitata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gemmifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gongylodes	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. italica	KNApSAcK Database	22123792
Brassica oleracea var. sabauda	FooDB	DTU Food
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	DTU Food
Brassica rapa ssp. chinensis	FooDB	DTU Food
Brassica rapa var. pekinensis	FooDB	FooDB
Brassica rapa var. rapa	FooDB	DTU Food
Brassica ruvo	FooDB	FooDB
Bredemeyera brevifolia	LOTUS Database	35616633
Brosimum alicastrum	FooDB	FooDB
Brucea javanica	KNApSAcK Database	22123792
Brunfelsia americana	LOTUS Database	35616633
Bryonia alba	LOTUS Database	35616633
Bubalus bubalis	FooDB	FooDB
Bupleurum chinense	KNApSAcK Database	22123792
Buthus martensi	-	KNApSAcK
Byrsonima crassifolia	FooDB	FooDB
Cajanus cajan	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Callicarpa pilosissima	KNApSAcK Database	22123792
Callyspongia fallax	LOTUS Database	35616633
Calophyllum calaba	KNApSAcK Database	22123792
Calophyllum inophyllum	KNApSAcK Database	22123792
Canarium album	LOTUS Database	35616633
Canarium ovatum	FooDB	FooDB
Canavalia ensiformis	LOTUS Database	35616633
Cancer magister	FooDB	USDA
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	DTU Food
Capparis spinosa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capra aegagrus hircus	FooDB	USDA
Capsicum annuum	FooDB	All-Creatures
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya	KNApSAcK Database	22123792
Carica papaya L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Caridea	FooDB	DTU Food
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	KNApSAcK Database	22123792
Carum carvi	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	DTU Food
Cassia absu	Plant	KNApSAcK
Cassia fistula	LOTUS Database	35616633
Cassia javanica	KNApSAcK Database	22123792
Cassia multijuga	KNApSAcK Database	22123792
Castanea	FooDB	DTU Food
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Cecropia pachystachya	LOTUS Database	35616633
Cedrela odorata	LOTUS Database	35616633
Celastrus paniculata	LOTUS Database	35616633
Celosia argentea	LOTUS Database	35616633
Celosia cristada	KNApSAcK Database	22123792
Centaurea aspera	LOTUS Database	35616633
Centaurea atropurpurea	KNApSAcK Database	22123792
Ceratonia siliqua	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cervicornia cuspidifera	LOTUS Database	35616633
Cervidae	FooDB	USDA
Cervus canadensis	FooDB	FooDB
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Chelonanthus albus	LOTUS Database	35616633
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	USDA
Chionoecetes opilio	FooDB	USDA
Chlamydomonas reinhardtii	LOTUS Database	35616633
Chrysanthemum coronarium	FooDB	FooDB
Cicer arietinum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cichlidae	FooDB	USDA
Cichorium endivia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cichorium intybus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cinnamomum	FooDB	DTU Food
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum burmanni	LOTUS Database	35616633
Cinnamomum kotoense	LOTUS Database	35616633
Cinnamomum subavenium	Plant	KNApSAcK
Cinnamomum subavenium MIQ.	KNApSAcK Database	22123792
Cinnamomum tenuifolium	KNApSAcK Database	22123792
Cinnamomum triplinerve	LOTUS Database	35616633
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	DTU Food
Cistanche deserticola	KNApSAcK Database	22123792
Citrullus colocynthis	LOTUS Database	35616633
Citrullus lanatus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	DTU Food
Citrus aurantiifolia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	DTU Food
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	DTU Food
Citrus reticulata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus sinensis	KNApSAcK Database	22123792
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	DTU Food
Clausena dunniana	LOTUS Database	35616633
Cleistanthus collinus	LOTUS Database	35616633
Cleome amblyocarpa	LOTUS Database	35616633
Clerodendrum bungei	LOTUS Database	35616633
Clerodendrum colebrookianum	LOTUS Database	35616633
Clitoria ternata	KNApSAcK Database	22123792
Clitoria ternatea	LOTUS Database	35616633
Clupeinae	FooDB	DTU Food
Cocos nucifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Coffea arabica L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Coffea canephora	FooDB	DTU Food
Coix lacryma-jobi	LOTUS Database	35616633
Colocasia esculenta	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Columba	FooDB	FooDB
Columbidae	FooDB	DTU Food
Combretum punctatum	LOTUS Database	35616633
Consolida regalis	LOTUS Database	35616633
Corchorus aestuans	LOTUS Database	35616633
Corchorus olitorius	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cordia sinensis	LOTUS Database	35616633
Coregonus	FooDB	DTU Food
Coriandrum sativum	LOTUS Database	35616633
Coriandrum sativum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Corylus	FooDB	DTU Food
Corylus avellana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Corylus chinensis	LOTUS Database	35616633
Crassostrea gigas	FooDB	USDA
Crassostrea virginica	FooDB	USDA
Crataegus pinnatifida	KNApSAcK Database	22123792
Crateva religiosa	FooDB	FooDB
Crinum amabile	LOTUS Database	35616633
Crocus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Crotalaria pallida	LOTUS Database	35616633
Crotalaria retusa	LOTUS Database	35616633
Croton penduliflorus	LOTUS Database	35616633
Croton tiglium	KNApSAcK Database	22123792
Cryptolepis buchananii	LOTUS Database	35616633
Cryptostegia grandiflora	LOTUS Database	35616633
Cucumis melo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus	LOTUS Database	35616633
Cucumis sativus L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucurbita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucurbita foetidissima	LOTUS Database	35616633
Cucurbita maxima	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucurbita moschata	FooDB	FooDB
Cucurbita pepo	LOTUS Database	35616633
Cullen corylifolium	Plant	KNApSAcK
Cuminum cyminum	FooDB	FooDB
Curcuma longa	Plant	KNApSAcK
Curcurbita pepo L.	-	KNApSAcK
Cuscuta pentagona	LOTUS Database	35616633
Cyamopsis tetragonoloba	LOTUS Database	35616633
Cyathea lepifera	LOTUS Database	35616633
Cyclopteridae	FooDB	DTU Food
Cydonia oblonga	FooDB	DTU Food
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara cornigera	LOTUS Database	35616633
Cynara scolymus	FooDB	DTU Food
Dalbergia lanceolaria	LOTUS Database	35616633
Daphnia magna	LOTUS Database	35616633
Datura stramonium	LOTUS Database	35616633
Daucus carota	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Daucus carota ssp. sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Delonix regia	LOTUS Database	35616633
Desmodium styracifolium	KNApSAcK Database	22123792
Diascia cordata	KNApSAcK Database	22123792
Diascia integerrima	KNApSAcK Database	22123792
Diascia megathura	KNApSAcK Database	22123792
Diascia purpurea	KNApSAcK Database	22123792
Diascia vigilis	KNApSAcK Database	22123792
Dicliptera chinensis	LOTUS Database	35616633
Dictamnus albus	LOTUS Database	35616633
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	DTU Food
Dioscorea pentaphylla	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Diospyros	FooDB	DTU Food
Diospyros kaki	FooDB	FooDB
Diospyros virginiana	FooDB	FooDB
Diplotaxis harra	LOTUS Database	35616633
Dipteryx lacunifera	LOTUS Database	35616633
Dipteryx odorata	LOTUS Database	35616633
Dromaius novaehollandiae	FooDB	FooDB
Drymaria cordata	KNApSAcK Database	22123792
Dryopteris assimilis	LOTUS Database	35616633
Dryopteris crassirhizoma	KNApSAcK Database	22123792
Drypetes gossweileri	LOTUS Database	35616633
Drypetes roxburghii	LOTUS Database	35616633
Duhaldea cappa	LOTUS Database	35616633
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Eclipta prostrata	LOTUS Database	35616633
Elaeagnus angustifolia	LOTUS Database	35616633
Elaeis	FooDB	DTU Food
Elaeis guineensis	LOTUS Database	35616633
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Eleutherococcus senticosus	Plant	KNApSAcK
Empetrum nigrum	FooDB	FooDB
Engraulidae	FooDB	DTU Food
Epilobium parviflorum	LOTUS Database	35616633
Epimedium brevicornum	KNApSAcK Database	22123792
Equilabium molle	LOTUS Database	35616633
Equus caballus	FooDB	FooDB
Eragrostis tef	FooDB	USDA
Erigeron caucasicus	LOTUS Database	35616633
Erigeron philadelphicus	LOTUS Database	35616633
Eriobotrya japonica	FooDB	DTU Food
Eruca vesicaria subsp. Sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Erylus formosus	LOTUS Database	35616633
Erythrina suberosa	LOTUS Database	35616633
Esox lucius	FooDB	DTU Food
Eucheuma	FooDB	DTU Food
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Euphausia superba	LOTUS Database	35616633
Euphorbia hylonoma	LOTUS Database	35616633
Eurhynchium striatum	LOTUS Database	35616633
Eutrema japonicum	FooDB	FooDB
Fagopyrum esculentum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	FooDB	FooDB
Fernandoa adenophylla	LOTUS Database	35616633
Festuca rubra	LOTUS Database	35616633
Ficus carica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	DTU Food
Forsythia suspensa	LOTUS Database	35616633
Fragaria x ananassa	FooDB	DTU Food
Fritillaria unibracteata	KNApSAcK Database	22123792
Frullania incumbens	KNApSAcK Database	22123792
Frullania lobulata	KNApSAcK Database	22123792
Fumaria vaillantii	LOTUS Database	35616633
Gadiformes	FooDB	DTU Food
Gadus	FooDB	DTU Food
Gallus gallus	FooDB	DTU Food
Ganoderma australe	LOTUS Database	35616633
Garcinia dulcis	LOTUS Database	35616633
Garcinia mangostana	FooDB	FooDB
Gardenia resinifera	LOTUS Database	35616633
Gastropoda	FooDB	DTU Food
Gaultheria borneensis	LOTUS Database	35616633
Gaylussacia baccata	FooDB	FooDB
Ginkgo biloba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gladiolus italicus	LOTUS Database	35616633
Gleditsia triacanthos	LOTUS Database	35616633
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gnetum montanum	LOTUS Database	35616633
Gossypium	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gossypium hirsutum	LOTUS Database	35616633
Gremmeniella abietina	LOTUS Database	35616633
Grifola frondosa	FooDB	FooDB
Grona styracifolia	Plant	KNApSAcK
Gryllotalpa orientalis	LOTUS Database	35616633
Gustavia longifolia	LOTUS Database	35616633
Gymnodinium nagasakiense	LOTUS Database	35616633
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Helianthus porteri	LOTUS Database	35616633
Helianthus tuberosus	FooDB	DTU Food
Hemsleya amabilis	LOTUS Database	35616633
Heracleum candicans	LOTUS Database	35616633
Heracleum wolongense	LOTUS Database	35616633
Heracleum yungningense	KNApSAcK Database	22123792
Hibiscus cannabinus	LOTUS Database	35616633
Hibiscus sabbariffa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hibiscus sabdariffa	LOTUS Database	35616633
Hibiscus syriacus	LOTUS Database	35616633
Hippoglossus	FooDB	USDA
Hippoglossus hippoglossus	FooDB	DTU Food
Hippomane mancinella	LOTUS Database	35616633
Hippophae rhamnoides	KNApSAcK Database	22123792
Homo sapiens	LOTUS Database	35616633
Hoplostethus atlanticus	FooDB	USDA
Hordeum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Houttuynia cordata	KNApSAcK Database	22123792
Hoya pottsii	LOTUS Database	35616633
Hyoscyamus niger	KNApSAcK Database	22123792
Hypera postica	LOTUS Database	35616633
Hypericum olympicum	LOTUS Database	35616633
Hypericum perfoliatum	LOTUS Database	35616633
Hyssopus officinalis L.	FooDB	FooDB
Ictalurus punctatus	FooDB	USDA
Ilex rotunda	LOTUS Database	35616633
Illicium verum	FooDB	FooDB
Inula grandis	LOTUS Database	35616633
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Iris leptophylla	LOTUS Database	35616633
Isatis tinctoria	KNApSAcK Database	22123792
Ixeris chinensis	LOTUS Database	35616633
Jasminum auriculatum	KNApSAcK Database	22123792
Jatropha curcas	LOTUS Database	35616633
Jatropha curcus	KNApSAcK Database	22123792
Jatropha gossypifolia	LOTUS Database	35616633
Jodina rhombifolia	LOTUS Database	35616633
Juglans	FooDB	DTU Food
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Juglans nigra L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Juglans regia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Juniperus phoenicea	LOTUS Database	35616633
Jurinea deltoidea	LOTUS Database	35616633
Justicia heterocarpa	LOTUS Database	35616633
Justicia heterocarpa T.ANDERS	KNApSAcK Database	22123792
Katsuwonus pelamis	FooDB	USDA
Khaya senegalensis	LOTUS Database	35616633
Lablab purpureus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lactarius deterrimus	LOTUS Database	35616633
Lactuca sativa	FooDB	15986496
Lactuca serriola	LOTUS Database	35616633
Lagenaria breviflora	LOTUS Database	35616633
Lagenaria siceraria	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lagerstroemia speciosa	LOTUS Database	35616633
Lagopus muta	FooDB	DTU Food
Lantana camara	KNApSAcK Database	22123792
Lantana strigocamara	LOTUS Database	35616633
Lathraea squamaria	LOTUS Database	35616633
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	FooDB
Lemna aequinoctialis	LOTUS Database	35616633
Lens culinaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lentinus edodes	FooDB	FooDB
Leontopodium nanum	LOTUS Database	35616633
Lepidaploa myriocephala	LOTUS Database	35616633
Lepidium meyenii	LOTUS Database	35616633
Lepidium sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lepomis gibbosus	FooDB	USDA
Leporidae	FooDB	DTU Food
Lepus timidus	FooDB	DTU Food
Lethariella cladonioides	LOTUS Database	35616633
Levisticum officinale	FooDB	FooDB
Ligustrum lucidum	LOTUS Database	35616633
Limanda limanda	FooDB	DTU Food
Limnanthes alba	LOTUS Database	35616633
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lippia sidoides	LOTUS Database	35616633
Litchi chinensis	FooDB	DTU Food
Litsea acutivena	LOTUS Database	35616633
Lota lota	FooDB	DTU Food
Lotus corniculatus	LOTUS Database	35616633
Lotus hirsutus	LOTUS Database	35616633
Luffa acutangula	LOTUS Database	35616633
Luffa aegyptiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lumbricus terrestris	LOTUS Database	35616633
Lupinus	FooDB	FooDB
Lupinus albus	KNApSAcK Database	22123792
Lupinus angustifolius	LOTUS Database	35616633
Lygodium japonicum	LOTUS Database	35616633
Lysionotus denticulosus	LOTUS Database	35616633
Macadamia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Macadamia integrifolia	LOTUS Database	35616633
Macadamia tetraphylla	FooDB	FooDB
Macrococculus pomiferus	LOTUS Database	35616633
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	DTU Food
Malus pumila	FooDB	16448186
Malva sylvestris	LOTUS Database	35616633
Malvaviscus arboreus	LOTUS Database	35616633
Mammea americana	FooDB	FooDB
Mangifera indica	KNApSAcK Database	22123792
Manihot esculenta	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Manilkara bidentata	LOTUS Database	35616633
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	USDA
Matricaria recutita	FooDB	FooDB
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	DTU Food
Melanitta fusca	FooDB	FooDB
Melanogrammus aeglefinus	FooDB	DTU Food
Meleagris gallopavo	FooDB	DTU Food
Melissa officinalis L.	FooDB	FooDB
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mentha x piperita	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Merlangius merlangus	FooDB	DTU Food
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Michelia compressa	LOTUS Database	35616633
Micromesistius poutassou	FooDB	DTU Food
Microstomus kitt	FooDB	DTU Food
Mitracarpus hirtus	LOTUS Database	35616633
Molva molva	FooDB	DTU Food
Momordica charantia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Mucuna puriens	Plant	KNApSAcK
Murraya paniculata	KNApSAcK Database	22123792
Musa acuminata	FooDB	FooDB
Musa x paradisiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mycoplasma gallisepticum	LOTUS Database	35616633
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Myrmekioderma rea	LOTUS Database	35616633
Mytilidae	FooDB	DTU Food
Narthecium ossifragum	LOTUS Database	35616633
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Nepeta cataria	LOTUS Database	35616633
Nephelium lappaceum	FooDB	FooDB
Nephropidae	FooDB	DTU Food
Nephrops norvegicus	FooDB	DTU Food
Nicotiana tabacum	LOTUS Database	35616633
Nigella sativa	LOTUS Database	35616633
Nigrospora sphaerica	LOTUS Database	35616633
Notopterygium incisum	KNApSAcK Database	22123792
Numida meleagris	FooDB	FooDB
Nuphar lutea	FooDB	USDA
Nymphaea alba	KNApSAcK Database	22123792
Ocimum basilicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Octopus vulgaris	FooDB	DTU Food
Odocoileus	FooDB	FooDB
Oenothera biennis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Oenothera rosea	LOTUS Database	35616633
Olea europaea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Oleandra wallichii	LOTUS Database	35616633
Oncorhynchus gorbuscha	FooDB	USDA
Oncorhynchus keta	FooDB	USDA
Oncorhynchus kisutch	FooDB	USDA
Oncorhynchus mykiss	FooDB	DTU Food
Oncorhynchus nerka	FooDB	USDA
Oncorhynchus tshawytscha	FooDB	USDA
Ononis natrix	LOTUS Database	35616633
Onychium japonicum	LOTUS Database	35616633
Ophiocordyceps sinensis	Fungi	KNApSAcK
Opuntia	FooDB	DTU Food
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	FooDB
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Origanum X majoricum	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Osmeridae	FooDB	USDA
Osmunda japonica	LOTUS Database	35616633
Ovis aries	FooDB	DTU Food
Pachyrhizus erosus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Palinuridae	FooDB	USDA
Panax ginseng	KNApSAcK Database	22123792
Panax pseudoginseng	LOTUS Database	35616633
Panax quinquefolium	KNApSAcK Database	22123792
Panax quinquefolius	Plant	KNApSAcK
Pandanus conoideus Lam	KNApSAcK Database	22123792
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	DTU Food
Papaver	FooDB	DTU Food
Papaver bracteatum	LOTUS Database	35616633
Paramacrolobium coeruleum	LOTUS Database	35616633
Paris fargesii	LOTUS Database	35616633
Passiflora edulis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pastinaca sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pectinidae	FooDB	USDA
Pediomelum esculentum	FooDB	FooDB
Perciformes	FooDB	DTU Food
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Persicaria minor	LOTUS Database	35616633
Petasites japonicus	FooDB	FooDB
Petiveria alliacea	LOTUS Database	35616633
Petroselinum crispum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Peucedanum govanianum var.bicolo	KNApSAcK Database	22123792
Peucedanum rubricaule	KNApSAcK Database	22123792
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phaseolus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phasianidae	FooDB	USDA
Phasianus colchicus	FooDB	FooDB
Phoenix dactylifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phonus arborescens	LOTUS Database	35616633
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	DTU Food
Physalis	FooDB	DTU Food
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	FooDB
Picea jezoensis	LOTUS Database	35616633
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	DTU Food
Pinus edulis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pinus pumila	LOTUS Database	35616633
Pinus radiata	LOTUS Database	35616633
Pinus sibirica	KNApSAcK Database	22123792
Piper betle	KNApSAcK Database	22123792
Piper marginatum	LOTUS Database	35616633
Piper nigrum	LOTUS Database	35616633
Piper nigrum L.	KNApSAcK Database	22123792
Piper ribesioides	LOTUS Database	35616633
Pistacia vera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pisum sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pithecellobium dulce	LOTUS Database	35616633
Pittosporum illicioides	LOTUS Database	35616633
Plantago ovata	LOTUS Database	35616633
Platycladus orientalis	LOTUS Database	35616633
Pleuronectidae	FooDB	DTU Food
Pleuronectiformes	FooDB	DTU Food
Pleurotus ostreatus	FooDB	DTU Food
Pollachius	FooDB	DTU Food
Polygonum alpinum	FooDB	FooDB
Polygonum minus	KNApSAcK Database	22123792
Pongamia pinnata	KNApSAcK Database	22123792
Populus tremula	LOTUS Database	35616633
Populus tremuloides	LOTUS Database	35616633
Portulaca oleracea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pouteria sapota	FooDB	FooDB
Primula ovalifolia	Plant	KNApSAcK
Proiphys amboinensis	LOTUS Database	35616633
Prunus africana	LOTUS Database	35616633
Prunus armeniaca	KNApSAcK Database	22123792
Prunus avium	KNApSAcK Database	22123792
Prunus avium L.	FooDB	DTU Food
Prunus cerasus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus domestica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus dulcis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus laurocerasus	LOTUS Database	35616633
Prunus persica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus persica var. nucipersica	FooDB	DTU Food
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Pseudo-nitzschia multistriata	LOTUS Database	35616633
Psidium cattleianum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Psidium guajava	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Psophocarpus tetragonolobus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Psoralea corylifolia	KNApSAcK Database	22123792
Pterodon emarginatus	LOTUS Database	35616633
Punica granatum	KNApSAcK Database	22123792
Pyrus communis	FooDB	DTU Food
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Ranidae	FooDB	DTU Food
Ranunculus silerifolius	LOTUS Database	35616633
Raphanus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Raphanus sativus var. longipinnatus	FooDB	DTU Food
Raphanus sativus var. sativus	FooDB	FooDB
Rehmannia glutinosa	KNApSAcK Database	22123792
Reinhardtius hippoglossoides	FooDB	DTU Food
Rheum rhabarbarum	FooDB	DTU Food
Rhodotorula glutinis	LOTUS Database	35616633
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ribes rubrum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ribes uva-crispa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Rosa	FooDB	DTU Food
Rosa platyacantha	LOTUS Database	35616633
Rosa roxburghii	LOTUS Database	35616633
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	FooDB
Rudbeckia fulgida	LOTUS Database	35616633
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	DTU Food
Rumex articus	FooDB	FooDB
Russula cyanoxantha	LOTUS Database	35616633
Saccharina japonica	FooDB	DTU Food
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salmea scandens	LOTUS Database	35616633
Salmo salar	FooDB	USDA
Salmonella enterica	LOTUS Database	35616633
Salmonidae	FooDB	DTU Food
Salpa thompsoni	LOTUS Database	35616633
Salsola collina	LOTUS Database	35616633
Salvelinus	FooDB	DTU Food
Salvelinus namaycush	FooDB	DTU Food
Salvia elegans	FooDB	FooDB
Salvia fruticosa	LOTUS Database	35616633
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Salvia rosmarinus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sambucus adnata	LOTUS Database	35616633
Sambucus nigra	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sambucus nigra L.	FooDB	DTU Food
Sander lucioperca	FooDB	DTU Food
Satureja hortensis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Satureja montana	FooDB	FooDB
Saussurea medusa	LOTUS Database	35616633
Saxifraga stolonifera	LOTUS Database	35616633
Saxifraga stolonifera Meerb.	KNApSAcK Database	22123792
Scaphium affine	LOTUS Database	35616633
Scomber japonicus	LOTUS Database	35616633
Scombridae	FooDB	DTU Food
Scophthalmus maximus	FooDB	DTU Food
Scorzonera hispanica	FooDB	DTU Food
Scrophularia nodosa	LOTUS Database	35616633
Scutellaria baicalensis	LOTUS Database	35616633
Sebastes alutus	FooDB	DTU Food
Sebastes viviparus	FooDB	DTU Food
Sebastiana sebiferum	-	KNApSAcK
Secale cereale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sechium edule	FooDB	DTU Food
Senna alata	Plant	KNApSAcK
Senna multijuga	LOTUS Database	35616633
Senna villosa	LOTUS Database	35616633
Sepiidae	FooDB	USDA
Serenoa repens	LOTUS Database	35616633
Sesamum indicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sesbania bispinosa	FooDB	FooDB
Sideritis taurica	LOTUS Database	35616633
Siluriformes	FooDB	DTU Food
Silybum marianum	KNApSAcK Database	22123792
Simicratea welwitschii	LOTUS Database	35616633
Sinapis alba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sisymbrium	FooDB	FooDB
Solanum chacoense	LOTUS Database	35616633
Solanum lycopersicum	FooDB	DTU Food
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum melongena	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	KNApSAcK Database	22123792
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	USDA
Spathiphyllum cannifolium	LOTUS Database	35616633
Spermacoce pusilla	LOTUS Database	35616633
Spinacia oleracea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Squalus acanthias	FooDB	DTU Food
Stangeria eriopus	LOTUS Database	35616633
Stellaria dichotoma	LOTUS Database	35616633
Stenodus leucichthys	FooDB	USDA
Sterculia foetida	LOTUS Database	35616633
Sterculia tragacantha	LOTUS Database	35616633
Streptomyces rochei	LOTUS Database	35616633
Strombidae	FooDB	USDA
Struthio camelus	FooDB	FooDB
Strychnos spinosa	LOTUS Database	35616633
Stuckenia pectinata	LOTUS Database	35616633
Suaeda aegyptiaca	LOTUS Database	35616633
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	DTU Food
Syzygium aromaticum	FooDB	FooDB
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Talaromyces flavus	LOTUS Database	35616633
Talaromyces verruculosus	LOTUS Database	35616633
Tamarindus indica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tanacetum vulgare	LOTUS Database	35616633
Taraxacum officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Terminalia chebula	Plant	KNApSAcK
Tetracera asiatica	LOTUS Database	35616633
Tetragonia tetragonioides	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Thalictrum revolutum	LOTUS Database	35616633
Thalictrum simplex	LOTUS Database	35616633
Thelesperma	FooDB	FooDB
Theobroma cacao	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Thunnus	FooDB	DTU Food
Thunnus albacares	FooDB	USDA
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	FooDB
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Tipuana tipu	LOTUS Database	35616633
Tragopogon porrifolius	FooDB	FooDB
Treculia africana	LOTUS Database	35616633
Trichoderma virens	LOTUS Database	35616633
Trichodesma zeylanicum	LOTUS Database	35616633
Trichosanthes kirilowii	KNApSAcK Database	22123792
Trichosanthes rosthornii	KNApSAcK Database	22123792
Trichosanthes tricuspidata	LOTUS Database	35616633
Trigonella foenum-graecum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tripneustes ventricosus	LOTUS Database	35616633
Tripterygium wilfordii	LOTUS Database	35616633
Trisopterus esmarkii	FooDB	DTU Food
Triticum	FooDB	DTU Food
Triticum aestivum	KNApSAcK Database	22123792
Triticum durum	FooDB	DTU Food
Triticum spelta	FooDB	USDA
Triticum turanicum	FooDB	USDA
Triticum turgidum	LOTUS Database	35616633
Tritrichomonas foetus	LOTUS Database	35616633
Turnera ulmifolia	LOTUS Database	35616633
Typha angustata	KNApSAcK Database	22123792
Typha angustifolia	FooDB	FooDB
Ulva pertusa	LOTUS Database	35616633
Vaccinium	FooDB	DTU Food
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	FooDB
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	USDA
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	DTU Food
Vaccinium ovalifolium	FooDB	FooDB
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	DTU Food
Vachellia constricta	LOTUS Database	35616633
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	USDA
Ventilago denticulata	LOTUS Database	35616633
Veratrum album	KNApSAcK Database	22123792
Veratrum mengtzeanum	LOTUS Database	35616633
Verbena officinalis	FooDB	FooDB
Vernonia cumingiana	LOTUS Database	35616633
Viburnum edule	FooDB	FooDB
Viburnum opulus	LOTUS Database	35616633
Vicia faba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna aconitifolia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna angularis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna mungo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna radiata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna subterranea	LOTUS Database	35616633
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	USDA
Vigna unguiculata ssp. unguiculata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna unguiculata var. sesquipedalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vitellaria paradoxa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vitex trifolia	KNApSAcK Database	22123792
Vitis	FooDB	DTU Food
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	FooDB
Vitis vinifera	LOTUS Database	35616633
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Wedelia acapulcensis	LOTUS Database	35616633
Wijkia concavifolia	LOTUS Database	35616633
Withania somnifera	Plant	KNApSAcK
Xanthosoma sagittifolium	FooDB	FooDB
Xestospongia muta	LOTUS Database	35616633
Zanthoxylum beecheyanum	LOTUS Database	35616633
Zea mays	LOTUS Database	35616633
Zea mays L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zingiber officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zizania	FooDB	USDA
Zizania aquatica	FooDB	FooDB
Ziziphus jujuba	KNApSAcK Database	22123792
Ziziphus spina-christi	LOTUS Database	35616633
Ziziphus zizyphus	FooDB	FooDB

Species Where Detected

Species Name	Source	Reference
Cordyceps sinensis	KNApSAcK Database	22123792
Escherichia coli	KNApSAcK Database	22123792
Homo sapiens (Serum)	KNApSAcK Database	22123792
Homo sapiens (Urine)	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain fatty acid (CHEBI:28842 )
saturated fatty acid (CHEBI:28842 )
straight-chain saturated fatty acid (CHEBI:28842 )
Straight chain fatty acids (C01530 )
Saturated fatty acids (C01530 )
Straight chain fatty acids (LMFA01010018 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	68.8 °C	Not Available
Boiling Point	183.00 to 184.00 °C. @ 1.00 mm Hg	The Good Scents Company Information System
Water Solubility	0.0006 mg/mL	Not Available
LogP	8.23	Sangster, J. (1993). LOGKOW- a Databank of Evaluated Octanol-Water Partition Coefficients. Sangster Research Laboratories, Montreal.

Predicted Properties

Property	Value	Source
Water Solubility	6.6e-05 g/L	ALOGPS
logP	8.02	ALOGPS
logP	7.15	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	86.29 m³·mol⁻¹	ChemAxon
Polarizability	38.64 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0000827

DrugBank ID

DB03193

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

28842

Good Scents ID

rw1009271

References

General References

Crocker I, Lawson N, Daniels I, Baker P, Fletcher J: Significance of fatty acids in pregnancy-induced immunosuppression. Clin Diagn Lab Immunol. 1999 Jul;6(4):587-93. [PubMed:10391868 ]
Katsuta Y, Iida T, Inomata S, Denda M: Unsaturated fatty acids induce calcium influx into keratinocytes and cause abnormal differentiation of epidermis. J Invest Dermatol. 2005 May;124(5):1008-13. [PubMed:15854043 ]
Sanjurjo P, Rodriguez-Alarcon J, Rodriguez-Soriano J: Plasma fatty acid composition during the first week of life following feeding with human milk or formula. Acta Paediatr Scand. 1988 Mar;77(2):202-6. [PubMed:3354331 ]
Neoptolemos JP, Thomas BS: Erythrocyte membrane stearic acid: oleic acid ratios in colorectal cancer using tube capillary column gas liquid chromatography. Ann Clin Biochem. 1990 Jan;27 ( Pt 1):38-43. [PubMed:2310156 ]
Turpeinen AM, Wubert J, Aro A, Lorenz R, Mutanen M: Similar effects of diets rich in stearic acid or trans-fatty acids on platelet function and endothelial prostacyclin production in humans. Arterioscler Thromb Vasc Biol. 1998 Feb;18(2):316-22. [PubMed:9484999 ]
Daubresse JC: [Atherosclerosis and nutrition]. Rev Med Brux. 2000 Sep;21(4):A359-62. [PubMed:11068494 ]
Hoppu U, Rinne M, Lampi AM, Isolauri E: Breast milk fatty acid composition is associated with development of atopic dermatitis in the infant. J Pediatr Gastroenterol Nutr. 2005 Sep;41(3):335-8. [PubMed:16131990 ]
Musial W, Kubis A: Preliminary assessment of alginic acid as a factor buffering triethanolamine interacting with artificial skin sebum. Eur J Pharm Biopharm. 2003 Mar;55(2):237-40. [PubMed:12637103 ]
Doran TA, Ford JA, Allen LC, Wong PY, Benzie RJ: Amniotic fluid lecithin/sphingomyelin ratio, palmitic acid, palmitic acid/stearic acid ratio, total cortisol, creatinine, and percentage of lipid-positive cells in assessment of fetal maturity and fetal pulmonary maturity: a comparison. Am J Obstet Gynecol. 1979 Feb 1;133(3):302-7. [PubMed:433991 ]
Kazmierczak SC, Gurachevsky A, Matthes G, Muravsky V: Electron spin resonance spectroscopy of serum albumin: a novel new test for cancer diagnosis and monitoring. Clin Chem. 2006 Nov;52(11):2129-34. Epub 2006 Sep 21. [PubMed:16990414 ]
Kelly FD, Sinclair AJ, Mann NJ, Turner AH, Abedin L, Li D: A stearic acid-rich diet improves thrombogenic and atherogenic risk factor profiles in healthy males. Eur J Clin Nutr. 2001 Feb;55(2):88-96. [PubMed:11305631 ]
Diani F, Cacco M, Molinaroli A, Cerruti G, Meloncelli C, Turinetto A: [Fatty acid composition of the cervical mucus obtained during ovulation and at the term of pregnancy]. Minerva Ginecol. 1998 Oct;50(10):405-10. [PubMed:9866950 ]
Sampath H, Ntambi JM: The fate and intermediary metabolism of stearic acid. Lipids. 2005 Dec;40(12):1187-91. doi: 10.1007/s11745-005-1484-z. [PubMed:16477801 ]

Showing NP-Card for Stearic acid (NP0001132)

MOL for NP0001132 (Stearic acid)

3D MOL for NP0001132 (Stearic acid)

3D SDF for NP0001132 (Stearic acid)

3D-SDF for NP0001132 (Stearic acid)

PDB for NP0001132 (Stearic acid)

3D PDB for NP0001132 (Stearic acid)

SMILES for NP0001132 (Stearic acid)

INCHI for NP0001132 (Stearic acid)

Structure for NP0001132 (Stearic acid)

3D Structure for NP0001132 (Stearic acid)