NP-MRD: Showing NP-Card for Erucic acid (NP0000021)

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Record Information

Version

2.0

Created at

2006-05-22 14:17:35 UTC

Updated at

2021-08-19 20:22:29 UTC

NP-MRD ID

NP0000021

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Erucic acid

Description

Erucic acid is a 22-carbon, monounsaturated omega-9 fatty acid found mainly in the Brassica family of plants such as canola, rapeseed, wallflower seed, mustard seed as well as Brussels spouts and broccoli. Some Brassica cultivars can have up to 40 to 50 percent of their oil recovered as erucic acid. Erucic acid is also known as cis-13-docosenoic acid. The trans isomer is known as brassidic acid. Erucic acid occurs in nature only along with bitter-tasting compounds. Erucic acid has many of the same uses as mineral oils but with the advantage that it is more readily bio-degradable. Its high tolerance to temperature makes it suitable for transmission oil. Erucic acid’s ability to polymerize and dry means it can be - and is - used as a binder for oil paints. Increased levels of eicosenoic acid (20:Ln9) and erucic acid (22:1N9) have been found in the red blood cell membranes of autistic subjects with developmental regression (PMID: 16581239 ). Erucic acid is broken down long-chain acyl-coenzyme A (CoA) dehydrogenase, which is produced in the liver. This enzyme breaks this long chain fatty acid into shorter-chain fatty acids. Human infants have relatively low amounts of this enzyme and because of this, babies should not be given foods high in erucic acid. Food-grade rapeseed oil (also known as canola oil) is regulated to a maximum of 2% erucic acid by weight in the US and 5% in the EU, with special regulations for infant food. Canola was bred from rapeseed cultivars of B. Napus and B. Rapa at the University of Manitoba, Canada. Canola oil is derived from a variety of rapeseed that is low in erucic acid.

Structure

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

HMDB0002068
     RDKit          3D
Erucic acid
 66 65  0  0  0  0  0  0  0  0999 V2000
    8.1745   -2.0910   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949   -1.1050   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6422    0.2775   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6105    1.2971    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208    1.3654   -0.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4655    2.3870   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    2.0597    0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389    0.6958    0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    0.4816    1.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    0.3068    2.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    0.3106    1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -1.0508    1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -1.1980    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168   -0.2091    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5036   -0.4269   -0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1453   -1.7482   -0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524   -2.2038    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9923   -1.6234    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0525   -0.3600    1.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9598    0.9934    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9698    1.5677    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2605    1.0135   -1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7546    0.0348   -1.7180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2790    1.6408   -1.9315 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4962   -2.7022   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0747   -1.5312   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8318   -2.7863   -1.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6011   -1.4949    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3556   -1.1209   -1.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.3355    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0894    0.5479   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2427    0.9589    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    2.2915    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9699    1.7027   -1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    0.3883   -1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    3.3681   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    2.4696   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5456    2.0237    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0585    2.8161    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564   -0.0997    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251    0.5530   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466    0.4703    2.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435    0.1507    3.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596    1.1062    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362    0.6394    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074   -1.2613    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313   -1.7956    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -1.1513   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.2162    0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918    0.8396    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341   -0.3328    1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1904    0.3899   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -0.3085   -1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8406   -1.7477   -1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -2.5440   -1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1665   -3.3175   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0490   -2.5255    1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9007   -1.8013    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2576   -2.4272    1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2049   -0.4271    2.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9668   -0.3593    2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0937    1.6633    2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371    1.3656    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9608    1.7478    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6485    2.6588   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0175    1.0485   -2.2297 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  2  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  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 39  1  0
  8 40  1  0
  8 41  1  0
  9 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
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 14 50  1  0
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 15 52  1  0
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 19 60  1  0
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 20 63  1  0
 21 64  1  0
 21 65  1  0
 24 66  1  0
M  END


  Mrv1652309042000262D          

 24 23  0  0  0  0            999 V2000
 9995.4484 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1632 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8781 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5929 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3081 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0216 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8485 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5620 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.2777 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.9932 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.7067 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.4224 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.1379 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.8535 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.5691 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7337 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.0189 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.3040 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5892 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.8744 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.1577 9997.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.4428 9997.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.7279 9997.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.4428 9998.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  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  2  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0000021

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-

> <INCHI_KEY>
DPUOLQHDNGRHBS-KTKRTIGZSA-N

> <FORMULA>
C22H42O2

> <MOLECULAR_WEIGHT>
338.5677

> <EXACT_MASS>
338.318480588

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
45.6006376809593

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(13Z)-docos-13-enoic acid

> <ALOGPS_LOGP>
8.97

> <JCHEM_LOGP>
8.562073111

> <ALOGPS_LOGS>
-7.17

> <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>
105.80619999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.27e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
erucic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002068
     RDKit          3D
Erucic acid
 66 65  0  0  0  0  0  0  0  0999 V2000
    8.1745   -2.0910   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949   -1.1050   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6422    0.2775   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6105    1.2971    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208    1.3654   -0.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4655    2.3870   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    2.0597    0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389    0.6958    0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    0.4816    1.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    0.3068    2.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    0.3106    1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -1.0508    1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -1.1980    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168   -0.2091    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5036   -0.4269   -0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1453   -1.7482   -0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524   -2.2038    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9923   -1.6234    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0525   -0.3600    1.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9598    0.9934    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9698    1.5677    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2605    1.0135   -1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7546    0.0348   -1.7180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2790    1.6408   -1.9315 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4962   -2.7022   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0747   -1.5312   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8318   -2.7863   -1.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6011   -1.4949    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3556   -1.1209   -1.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.3355    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0894    0.5479   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2427    0.9589    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    2.2915    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9699    1.7027   -1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    0.3883   -1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    3.3681   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    2.4696   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5456    2.0237    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0585    2.8161    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564   -0.0997    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251    0.5530   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466    0.4703    2.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435    0.1507    3.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596    1.1062    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362    0.6394    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074   -1.2613    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313   -1.7956    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -1.1513   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.2162    0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918    0.8396    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341   -0.3328    1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1904    0.3899   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -0.3085   -1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8406   -1.7477   -1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -2.5440   -1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1665   -3.3175   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0490   -2.5255    1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9007   -1.8013    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2576   -2.4272    1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2049   -0.4271    2.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9668   -0.3593    2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0937    1.6633    2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371    1.3656    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9608    1.7478    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6485    2.6588   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0175    1.0485   -2.2297 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  2  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  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 39  1  0
  8 40  1  0
  8 41  1  0
  9 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 21 65  1  0
 24 66  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8658.1708661.104   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8659.5058661.872   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8660.8398661.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8662.1738661.872   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8663.5088661.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8664.8408661.872   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8666.3848661.872   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8667.7168661.104   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8669.0528661.872   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8670.3878661.104   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8671.7198661.872   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8673.0558661.104   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8674.3918661.872   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8675.7278661.104   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8677.0628661.872   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8656.8368661.872   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8655.5028661.104   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8654.1678661.872   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8652.8338661.104   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8651.4998661.872   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8650.1618661.104   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8648.8278661.872   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0    8647.4928661.104   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0    8648.8278663.413   0.000  0.00  0.00           O+0
CONECT    1    2   16                                                       
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                                                            
CONECT   16    1   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

COMPND    HMDB0002068
HETATM    1  C1  UNL     1       8.175  -2.091  -0.948  1.00  0.00           C  
HETATM    2  C2  UNL     1       7.095  -1.105  -0.537  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.642   0.277  -0.394  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.610   1.297   0.021  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.521   1.365  -0.995  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.465   2.387  -0.614  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.821   2.060   0.707  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.139   0.696   0.672  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.552   0.482   1.992  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.286   0.307   2.210  1.00  0.00           C  
HETATM   11  C11 UNL     1       0.299   0.311   1.112  1.00  0.00           C  
HETATM   12  C12 UNL     1      -0.365  -1.051   1.124  1.00  0.00           C  
HETATM   13  C13 UNL     1      -1.404  -1.198   0.051  1.00  0.00           C  
HETATM   14  C14 UNL     1      -2.517  -0.209   0.157  1.00  0.00           C  
HETATM   15  C15 UNL     1      -3.504  -0.427  -0.947  1.00  0.00           C  
HETATM   16  C16 UNL     1      -4.145  -1.748  -0.983  1.00  0.00           C  
HETATM   17  C17 UNL     1      -4.852  -2.204   0.184  1.00  0.00           C  
HETATM   18  C18 UNL     1      -5.992  -1.623   0.866  1.00  0.00           C  
HETATM   19  C19 UNL     1      -6.052  -0.360   1.557  1.00  0.00           C  
HETATM   20  C20 UNL     1      -5.960   0.993   1.059  1.00  0.00           C  
HETATM   21  C21 UNL     1      -6.970   1.568   0.157  1.00  0.00           C  
HETATM   22  C22 UNL     1      -7.260   1.014  -1.139  1.00  0.00           C  
HETATM   23  O1  UNL     1      -6.755   0.035  -1.718  1.00  0.00           O  
HETATM   24  O2  UNL     1      -8.279   1.641  -1.931  1.00  0.00           O  
HETATM   25  H1  UNL     1       8.496  -2.702  -0.062  1.00  0.00           H  
HETATM   26  H2  UNL     1       9.075  -1.531  -1.263  1.00  0.00           H  
HETATM   27  H3  UNL     1       7.832  -2.786  -1.736  1.00  0.00           H  
HETATM   28  H4  UNL     1       6.601  -1.495   0.359  1.00  0.00           H  
HETATM   29  H5  UNL     1       6.356  -1.121  -1.383  1.00  0.00           H  
HETATM   30  H6  UNL     1       8.476   0.335   0.322  1.00  0.00           H  
HETATM   31  H7  UNL     1       8.089   0.548  -1.396  1.00  0.00           H  
HETATM   32  H8  UNL     1       6.243   0.959   1.025  1.00  0.00           H  
HETATM   33  H9  UNL     1       7.042   2.292   0.194  1.00  0.00           H  
HETATM   34  H10 UNL     1       5.970   1.703  -1.951  1.00  0.00           H  
HETATM   35  H11 UNL     1       5.038   0.388  -1.181  1.00  0.00           H  
HETATM   36  H12 UNL     1       4.965   3.368  -0.496  1.00  0.00           H  
HETATM   37  H13 UNL     1       3.692   2.470  -1.374  1.00  0.00           H  
HETATM   38  H14 UNL     1       4.546   2.024   1.538  1.00  0.00           H  
HETATM   39  H15 UNL     1       3.058   2.816   0.915  1.00  0.00           H  
HETATM   40  H16 UNL     1       3.956  -0.100   0.574  1.00  0.00           H  
HETATM   41  H17 UNL     1       2.525   0.553  -0.201  1.00  0.00           H  
HETATM   42  H18 UNL     1       3.247   0.470   2.852  1.00  0.00           H  
HETATM   43  H19 UNL     1       0.944   0.151   3.261  1.00  0.00           H  
HETATM   44  H20 UNL     1      -0.460   1.106   1.427  1.00  0.00           H  
HETATM   45  H21 UNL     1       0.636   0.639   0.142  1.00  0.00           H  
HETATM   46  H22 UNL     1      -0.807  -1.261   2.094  1.00  0.00           H  
HETATM   47  H23 UNL     1       0.431  -1.796   0.929  1.00  0.00           H  
HETATM   48  H24 UNL     1      -0.974  -1.151  -0.971  1.00  0.00           H  
HETATM   49  H25 UNL     1      -1.833  -2.216   0.153  1.00  0.00           H  
HETATM   50  H26 UNL     1      -2.192   0.840   0.125  1.00  0.00           H  
HETATM   51  H27 UNL     1      -3.034  -0.333   1.151  1.00  0.00           H  
HETATM   52  H28 UNL     1      -4.190   0.390  -1.041  1.00  0.00           H  
HETATM   53  H29 UNL     1      -2.848  -0.309  -1.902  1.00  0.00           H  
HETATM   54  H30 UNL     1      -4.841  -1.748  -1.886  1.00  0.00           H  
HETATM   55  H31 UNL     1      -3.385  -2.544  -1.353  1.00  0.00           H  
HETATM   56  H32 UNL     1      -5.167  -3.318  -0.073  1.00  0.00           H  
HETATM   57  H33 UNL     1      -4.049  -2.525   1.012  1.00  0.00           H  
HETATM   58  H34 UNL     1      -6.901  -1.801   0.180  1.00  0.00           H  
HETATM   59  H35 UNL     1      -6.258  -2.427   1.703  1.00  0.00           H  
HETATM   60  H36 UNL     1      -5.205  -0.427   2.378  1.00  0.00           H  
HETATM   61  H37 UNL     1      -6.967  -0.359   2.291  1.00  0.00           H  
HETATM   62  H38 UNL     1      -6.094   1.663   2.039  1.00  0.00           H  
HETATM   63  H39 UNL     1      -4.937   1.366   0.779  1.00  0.00           H  
HETATM   64  H40 UNL     1      -7.961   1.748   0.707  1.00  0.00           H  
HETATM   65  H41 UNL     1      -6.648   2.659  -0.023  1.00  0.00           H  
HETATM   66  H42 UNL     1      -9.017   1.048  -2.230  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3   28   29
CONECT    3    4   30   31
CONECT    4    5   32   33
CONECT    5    6   34   35
CONECT    6    7   36   37
CONECT    7    8   38   39
CONECT    8    9   40   41
CONECT    9   10   10   42
CONECT   10   11   43
CONECT   11   12   44   45
CONECT   12   13   46   47
CONECT   13   14   48   49
CONECT   14   15   50   51
CONECT   15   16   52   53
CONECT   16   17   54   55
CONECT   17   18   56   57
CONECT   18   19   58   59
CONECT   19   20   60   61
CONECT   20   21   62   63
CONECT   21   22   64   65
CONECT   22   23   23   24
CONECT   24   66
END

HMDB0002068
     RDKit          3D
Erucic acid
 66 65  0  0  0  0  0  0  0  0999 V2000
    8.1745   -2.0910   -0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949   -1.1050   -0.5372 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6422    0.2775   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6105    1.2971    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208    1.3654   -0.9951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4655    2.3870   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    2.0597    0.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389    0.6958    0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    0.4816    1.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    0.3068    2.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993    0.3106    1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647   -1.0508    1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -1.1980    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5168   -0.2091    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5036   -0.4269   -0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1453   -1.7482   -0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8524   -2.2038    0.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9923   -1.6234    0.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0525   -0.3600    1.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9598    0.9934    1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9698    1.5677    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2605    1.0135   -1.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7546    0.0348   -1.7180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2790    1.6408   -1.9315 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4962   -2.7022   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0747   -1.5312   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8318   -2.7863   -1.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6011   -1.4949    0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3556   -1.1209   -1.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    0.3355    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0894    0.5479   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2427    0.9589    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    2.2915    0.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9699    1.7027   -1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0379    0.3883   -1.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    3.3681   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    2.4696   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5456    2.0237    1.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0585    2.8161    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9564   -0.0997    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251    0.5530   -0.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466    0.4703    2.8515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435    0.1507    3.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596    1.1062    1.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6362    0.6394    0.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8074   -1.2613    2.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313   -1.7956    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -1.1513   -0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8333   -2.2162    0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1918    0.8396    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0341   -0.3328    1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1904    0.3899   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482   -0.3085   -1.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8406   -1.7477   -1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3852   -2.5440   -1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1665   -3.3175   -0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0490   -2.5255    1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9007   -1.8013    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2576   -2.4272    1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2049   -0.4271    2.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9668   -0.3593    2.2911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0937    1.6633    2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9371    1.3656    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9608    1.7478    0.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6485    2.6588   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0175    1.0485   -2.2297 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  2  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  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  2 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  0
  4 33  1  0
  5 34  1  0
  5 35  1  0
  6 36  1  0
  6 37  1  0
  7 38  1  0
  7 39  1  0
  8 40  1  0
  8 41  1  0
  9 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 20 62  1  0
 20 63  1  0
 21 64  1  0
 21 65  1  0
 24 66  1  0
M  END

View in JSmol

Synonyms

Value	Source
(13Z)-13-Docosenoic acid	ChEBI
(13Z)-Docosenoic acid	ChEBI
(Z)-13-Docosenoic acid	ChEBI
(Z)-Docos-13-enoic acid	ChEBI
13-cis-Docosenoic acid	ChEBI
22:1Omega9	ChEBI
C22:1N-9	ChEBI
cis-13-Docosenoic acid	ChEBI
cis-Delta(13)-Docosenoic acid	ChEBI
cis-Eruic acid	ChEBI
Docos-13C-enoic acid	ChEBI
Erucasaeure	ChEBI
(13Z)-13-Docosenoate	Generator
(13Z)-Docosenoate	Generator
(Z)-13-Docosenoate	Generator
(Z)-Docos-13-enoate	Generator
13-cis-Docosenoate	Generator
cis-13-Docosenoate	Generator
cis-delta(13)-Docosenoate	Generator
cis-Δ(13)-docosenoate	Generator
cis-Δ(13)-docosenoic acid	Generator
cis-Eruate	Generator
Docos-13C-enoate	Generator
Erucate	Generator
13-Docosenoic acid	HMDB
Erucic acid, (Z)-isomer	HMDB
13-Docosenoate	HMDB
13-Docosenoic acid (acd/name 4.0)	HMDB
cis-Erucic acid	HMDB
delta 13-cis-Docosenoate	HMDB
delta 13-cis-Docosenoic acid	HMDB
Delta.13-cis-docosenoate	HMDB
Delta.13-cis-docosenoic acid	HMDB
Prifrac 2990	HMDB
(Z)-Erucic acid	HMDB
13(Z)-Docosenoic acid	HMDB
FA(22:1(13Z))	HMDB
FA(22:1n9)	HMDB
cis-13-Erucic acid	HMDB
delta13-cis-Docosenoic acid	HMDB
Δ13-cis-docosenoic acid	HMDB
Erucic acid	HMDB

Chemical Formula

C₂₂H₄₂O₂

Average Mass

338.5677 Da

Monoisotopic Mass

338.31848 Da

IUPAC Name

(13Z)-docos-13-enoic acid

Traditional Name

erucic acid

CAS Registry Number

112-86-7

SMILES

[H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-

InChI Key

DPUOLQHDNGRHBS-KTKRTIGZSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, CD₃OD, experimental)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol, simulated)	varshavi.d26@gmail.com	Not Available	Not Available	2021-08-14	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Abelmoschus esculentus	FooDB	DTU Food
Abramis brama	FooDB	DTU Food
Abrus precatorius	LOTUS Database	35616633
Acipenseridae	FooDB	DTU Food
Actinidia chinensis	FooDB	DTU Food
Agaricus bisporus	FooDB	DTU Food
Agave	FooDB	FooDB
Allium ampeloprasum	FooDB	FooDB
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	FooDB
Allium cepa L.	FooDB	DTU Food
Allium fistulosum	FooDB	FooDB
Allium sativum	FooDB	DTU Food
Allium schoenoprasum	FooDB	DTU Food
Allium tuberosum	FooDB	FooDB
Aloysia triphylla	FooDB	FooDB
Althaea officinalis	LOTUS Database	35616633
Amaranthus	FooDB	FooDB
Amelanchier alnifolia	FooDB	FooDB
Anacardium occidentale	FooDB	DTU Food
Ananas comosus	FooDB	DTU Food
Anarhichas lupus	FooDB	DTU Food
Anatidae	FooDB	DTU Food
Anethum graveolens	FooDB	DTU Food
Angelica keiskei	FooDB	FooDB
Anguilliformes	FooDB	DTU Food
Annona cherimola	FooDB	DTU Food
Annona muricata	FooDB	FooDB
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anthriscus cerefolium	FooDB	DTU Food
Apium graveolens	FooDB	DTU Food
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	DTU Food
Apium graveolens var. secalinum	FooDB	DTU Food
Arachis hypogaea	FooDB	DTU Food
Arctium lappa	FooDB	FooDB
Armoracia rusticana	FooDB	DTU Food
Artemisia dracunculus	FooDB	FooDB
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus heterophyllus	FooDB	FooDB
Asparagus officinalis	FooDB	DTU Food
Astacidea	FooDB	DTU Food
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	DTU Food
Averrhoa carambola	FooDB	DTU Food
Basella alba	FooDB	FooDB
Belone belone	FooDB	DTU Food
Benincasa hispida	FooDB	FooDB
Bertholletia excelsa	FooDB	DTU Food
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	DTU Food
Borago officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Bos taurus	FooDB	DTU Food
Brachyura	FooDB	DTU Food
Brassica alboglabra	FooDB	FooDB
Brassica juncea	FooDB	FooDB
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	FooDB
Brassica oleracea var. gemmifera	FooDB	DTU Food
Brassica oleracea var. gongylodes	FooDB	DTU Food
Brassica oleracea var. italica	FooDB	DTU Food
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
Brosimum alicastrum	FooDB	FooDB
Byrsonima crassifolia	FooDB	FooDB
Cajanus cajan	FooDB	FooDB
Calophyllum calaba	KNApSAcK Database	22123792
Calophyllum inophyllum	KNApSAcK Database	22123792
Canarium ovatum	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	DTU Food
Capparis spinosa	FooDB	FooDB
Capsicum annuum	FooDB	DTU Food
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	FooDB
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya L.	FooDB	DTU Food
Caridea	FooDB	DTU Food
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	DTU Food
Carum carvi	FooDB	FooDB
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	DTU Food
Castanea	FooDB	DTU Food
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Ceratonia siliqua	FooDB	FooDB
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	FooDB
Chrysanthemum coronarium	FooDB	FooDB
Cicer arietinum	FooDB	DTU Food
Cichorium endivia	FooDB	DTU Food
Cichorium intybus	FooDB	DTU Food
Cinnamomum	FooDB	DTU Food
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	DTU Food
Citrullus lanatus	FooDB	DTU Food
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	DTU Food
Citrus aurantiifolia	FooDB	DTU Food
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	DTU Food
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	DTU Food
Citrus reticulata	FooDB	DTU Food
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	DTU Food
Clupeinae	FooDB	DTU Food
Cocos nucifera	FooDB	DTU Food
Coffea arabica L.	FooDB	DTU Food
Coffea canephora	FooDB	DTU Food
Colocasia esculenta	FooDB	FooDB
Columbidae	FooDB	DTU Food
Corchorus olitorius	FooDB	FooDB
Coregonus	FooDB	DTU Food
Coriandrum sativum L.	FooDB	DTU Food
Corylus	FooDB	DTU Food
Corylus avellana	FooDB	FooDB
Crambe hispanica	LOTUS Database	35616633
Crateva religiosa	FooDB	FooDB
Crocus sativus	FooDB	FooDB
Cucumis melo	FooDB	DTU Food
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	DTU Food
Cucurbita	FooDB	DTU Food
Cucurbita maxima	FooDB	DTU Food
Cucurbita moschata	FooDB	FooDB
Cuminum cyminum	FooDB	FooDB
Curcuma longa	FooDB	FooDB
Cyclopteridae	FooDB	DTU Food
Cydonia oblonga	FooDB	DTU Food
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	DTU Food
Daucus carota	FooDB	FooDB
Daucus carota ssp. sativus	FooDB	DTU Food
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	DTU Food
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	DTU Food
Diospyros kaki	FooDB	FooDB
Diospyros virginiana	FooDB	FooDB
Dipteryx lacunifera	LOTUS Database	35616633
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Elaeis	FooDB	DTU Food
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	FooDB
Empetrum nigrum	FooDB	FooDB
Engraulidae	FooDB	DTU Food
Eragrostis tef	FooDB	FooDB
Eriobotrya japonica	FooDB	DTU Food
Eruca vesicaria subsp. Sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Esox lucius	FooDB	DTU Food
Eucheuma	FooDB	DTU Food
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Euphorbia tithymaloides	LOTUS Database	35616633
Eutrema japonicum	FooDB	FooDB
Fagopyrum esculentum	FooDB	DTU Food
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	FooDB	FooDB
Ficus carica	FooDB	DTU Food
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	DTU Food
Fragaria x ananassa	FooDB	DTU Food
Gadiformes	FooDB	DTU Food
Gadus	FooDB	DTU Food
Gallus gallus	FooDB	DTU Food
Garcinia mangostana	FooDB	FooDB
Gastropoda	FooDB	DTU Food
Gaylussacia baccata	FooDB	FooDB
Ginkgo biloba	FooDB	FooDB
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gossypium	FooDB	DTU Food
Grifola frondosa	FooDB	FooDB
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	DTU Food
Helianthus tuberosus	FooDB	DTU Food
Hibiscus sabbariffa	FooDB	FooDB
Hippoglossus hippoglossus	FooDB	DTU Food
Hippophae rhamnoides	FooDB	FooDB
Hordeum vulgare	FooDB	DTU Food
Hypericum perforatum	LOTUS Database	35616633
Hyssopus officinalis L.	FooDB	FooDB
Illicium verum	FooDB	FooDB
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	DTU Food
Isatis tinctoria	LOTUS Database	35616633
Juglans	FooDB	DTU Food
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	DTU Food
Juglans regia	FooDB	FooDB
Lablab purpureus	FooDB	FooDB
Lactuca sativa	FooDB	DTU Food
Lagenaria siceraria	FooDB	FooDB
Lagopus muta	FooDB	DTU Food
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	FooDB
Lens culinaris	FooDB	DTU Food
Lentinus edodes	FooDB	FooDB
Lepidium sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Leporidae	FooDB	DTU Food
Lepus timidus	FooDB	DTU Food
Levisticum officinale	FooDB	FooDB
Limanda limanda	FooDB	DTU Food
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Litchi chinensis	FooDB	DTU Food
Lota lota	FooDB	DTU Food
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	FooDB
Lupinus albus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Luzuriaga parviflora	KNApSAcK Database	22123792
Macadamia	FooDB	FooDB
Macadamia tetraphylla	FooDB	FooDB
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	DTU Food
Malus pumila	FooDB	DTU Food
Malva sylvestris	LOTUS Database	35616633
Mammea americana	FooDB	FooDB
Mangifera indica	FooDB	DTU Food
Manihot esculenta	FooDB	DTU Food
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	FooDB
Matricaria recutita	FooDB	FooDB
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	DTU Food
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	FooDB
Mentha x piperita	FooDB	FooDB
Merlangius merlangus	FooDB	DTU Food
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Micromesistius poutassou	FooDB	DTU Food
Microstomus kitt	FooDB	DTU Food
Molva molva	FooDB	DTU Food
Momordica charantia	FooDB	FooDB
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	FooDB
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Musa acuminata	FooDB	FooDB
Musa x paradisiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	DTU Food
Mytilidae	FooDB	DTU Food
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Nephelium lappaceum	FooDB	FooDB
Nephropidae	FooDB	DTU Food
Nephrops norvegicus	FooDB	DTU Food
Nuphar lutea	FooDB	FooDB
Ocimum basilicum	FooDB	FooDB
Octopus vulgaris	FooDB	DTU Food
Oenothera biennis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Olea europaea	FooDB	DTU Food
Oncorhynchus mykiss	FooDB	DTU Food
Opuntia	FooDB	DTU Food
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	FooDB
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	FooDB
Origanum X majoricum	FooDB	FooDB
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	DTU Food
Ovis aries	FooDB	DTU Food
Pachyrhizus erosus	FooDB	FooDB
Panax ginseng	FooDB	FooDB
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	DTU Food
Papaver	FooDB	DTU Food
Passiflora edulis	FooDB	DTU Food
Pastinaca sativa	FooDB	DTU Food
Pediomelum esculentum	FooDB	FooDB
Perciformes	FooDB	DTU Food
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	DTU Food
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	DTU Food
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	FooDB
Phaseolus vulgaris	FooDB	DTU Food
Phoenix dactylifera	FooDB	DTU Food
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	DTU Food
Physalis	FooDB	DTU Food
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	FooDB
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	DTU Food
Pinus edulis	FooDB	FooDB
Piper nigrum L.	FooDB	DTU Food
Pistacia vera	FooDB	DTU Food
Pisum sativum	FooDB	DTU Food
Pleuronectidae	FooDB	DTU Food
Pleuronectiformes	FooDB	DTU Food
Pleurotus ostreatus	FooDB	DTU Food
Pollachius	FooDB	DTU Food
Polygonum alpinum	FooDB	FooDB
Portulaca oleracea	FooDB	FooDB
Pouteria sapota	FooDB	FooDB
Prunus armeniaca	FooDB	DTU Food
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	DTU Food
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	DTU Food
Prunus dulcis	FooDB	DTU Food
Prunus persica	FooDB	DTU Food
Prunus persica var. nucipersica	FooDB	DTU Food
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	DTU Food
Psophocarpus tetragonolobus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Punica granatum	FooDB	DTU Food
Pyrus communis	FooDB	DTU Food
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Ranidae	FooDB	DTU Food
Raphanus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Raphanus sativus var. longipinnatus	FooDB	DTU Food
Raphanus sativus var. sativus	FooDB	FooDB
Reinhardtius hippoglossoides	FooDB	DTU Food
Rheum rhabarbarum	FooDB	DTU Food
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	DTU Food
Ribes rubrum	FooDB	DTU Food
Ribes uva-crispa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Rosa	FooDB	DTU Food
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	FooDB
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	FooDB
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	DTU Food
Rumex articus	FooDB	FooDB
Rumex crispus	LOTUS Database	35616633
Saccharina japonica	FooDB	DTU Food
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salmonidae	FooDB	DTU Food
Salvelinus	FooDB	DTU Food
Salvelinus namaycush	FooDB	DTU Food
Salvia elegans	FooDB	FooDB
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	FooDB
Salvia rosmarinus	FooDB	FooDB
Sambucus nigra	FooDB	FooDB
Sambucus nigra L.	FooDB	DTU Food
Sander lucioperca	FooDB	DTU Food
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	FooDB
Scomber japonicus	LOTUS Database	35616633
Scombridae	FooDB	DTU Food
Scophthalmus maximus	FooDB	DTU Food
Scorzonera hispanica	FooDB	DTU Food
Sebastes alutus	FooDB	DTU Food
Sebastes viviparus	FooDB	DTU Food
Secale cereale	FooDB	DTU Food
Sechium edule	FooDB	DTU Food
Sesamum indicum	FooDB	DTU Food
Sesbania bispinosa	FooDB	FooDB
Siluriformes	FooDB	DTU Food
Sinapis alba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sinapis arvensis	LOTUS Database	35616633
Sisymbrium	FooDB	FooDB
Solanum lycopersicum	FooDB	DTU Food
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	FooDB
Solanum melongena	FooDB	DTU Food
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	FooDB	DTU Food
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spinacia oleracea	FooDB	DTU Food
Squalus acanthias	FooDB	DTU Food
Streptomyces griseoincarnatus	LOTUS Database	35616633
Sus scrofa domestica	FooDB	DTU Food
Syzygium aromaticum	FooDB	FooDB
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tamarindus indica	FooDB	DTU Food
Taraxacum officinale	FooDB	DTU Food
Tetragonia tetragonioides	FooDB	FooDB
Thelesperma	FooDB	FooDB
Thunnus	FooDB	DTU Food
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	FooDB
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Tragopogon porrifolius	FooDB	FooDB
Trigonella foenum-graecum	FooDB	FooDB
Trisopterus esmarkii	FooDB	DTU Food
Triticum	FooDB	DTU Food
Triticum aestivum	FooDB	FooDB
Triticum durum	FooDB	DTU Food
Triticum spelta	FooDB	FooDB
Triticum turanicum	FooDB	FooDB
Tropaeolum majus	KNApSAcK Database	22123792
Typha angustifolia	FooDB	FooDB
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	FooDB
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
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	FooDB
Verbena officinalis	FooDB	FooDB
Viburnum edule	FooDB	FooDB
Vicia faba	FooDB	FooDB
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	DTU Food
Vigna mungo	FooDB	FooDB
Vigna radiata	FooDB	DTU Food
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna unguiculata var. sesquipedalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vitis	FooDB	DTU Food
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	FooDB
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Xanthosoma sagittifolium	FooDB	FooDB
Zea mays L.	FooDB	DTU Food
Zingiber officinale	FooDB	DTU Food
Zizania	FooDB	FooDB
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents

Substituents

Very long-chain fatty acid
Unsaturated 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

docosenoic acid (CHEBI:28792 )
Unsaturated fatty acids (C08316 )
Monounsaturated fatty acids (C08316 )
Unsaturated fatty acids (LMFA01030089 )

Physical Properties

State

Liquid

Experimental Properties

Property	Value	Reference
Melting Point	33.5 °C	Not Available
Boiling Point	386.15 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	9.5e-05 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	9.459 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
Water Solubility	2.3e-05 g/L	ALOGPS
logP	8.97	ALOGPS
logP	8.56	ChemAxon
logS	-7.2	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	19	ChemAxon
Refractivity	105.81 m³·mol⁻¹	ChemAxon
Polarizability	45.6 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

HMDB0002068

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Erucic_acid

METLIN ID

6470

PubChem Compound

5281116

PDB ID

Not Available

ChEBI ID

28792

Good Scents ID

rw1242821

References

General References

Rizzo WB, Leshner RT, Odone A, Dammann AL, Craft DA, Jensen ME, Jennings SS, Davis S, Jaitly R, Sgro JA: Dietary erucic acid therapy for X-linked adrenoleukodystrophy. Neurology. 1989 Nov;39(11):1415-22. [PubMed:2682348 ]
Bu B, Ashwood P, Harvey D, King IB, Water JV, Jin LW: Fatty acid compositions of red blood cell phospholipids in children with autism. Prostaglandins Leukot Essent Fatty Acids. 2006 Apr;74(4):215-21. [PubMed:16581239 ]
Charlton KM, Corner AH, Davey K, Kramer JK, Mahadevan S, Sauer FD: Cardiac lesions in rats fed rapeseed oils. Can J Comp Med. 1975 Jul;39(3):261-9. [PubMed:1170010 ]
Crowther MA, Barr RD, Kelton J, Whelan D, Greenwald M: Profound thrombocytopenia complicating dietary erucic acid therapy for adrenoleukodystrophy. Am J Hematol. 1995 Feb;48(2):132-3. doi: 10.1002/ajh.2830480217. [PubMed:7847331 ]

Showing NP-Card for Erucic acid (NP0000021)

MOL for NP0000021 (Erucic acid)

3D MOL for NP0000021 (Erucic acid)

3D SDF for NP0000021 (Erucic acid)

3D-SDF for NP0000021 (Erucic acid)

PDB for NP0000021 (Erucic acid)

3D PDB for NP0000021 (Erucic acid)

SMILES for NP0000021 (Erucic acid)

INCHI for NP0000021 (Erucic acid)

Structure for NP0000021 (Erucic acid)

3D Structure for NP0000021 (Erucic acid)