NP-MRD: Showing NP-Card for Octadecanol (NP0000727)

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Record Information

Version

2.0

Created at

2006-05-22 14:17:49 UTC

Updated at

2024-09-17 15:42:48 UTC

NP-MRD ID

NP0000727

Natural Product DOI

https://doi.org/10.57994/2720

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Octadecanol

Description

Octadenol is a fatty alcohol present in human and is normally incorporated into plasmalogen lipids. Patients with the autosomal recessive form of rhizomelic chondrodysplasia punctata (AR-RCDP) have elevated octadenol levels, but tended to be normal in other generalized peroxisomal disorders such as neonatal adrenoleukodystrophy and Zellweger syndrome (peroxisomal disorders are deficient in the incorporation of fatty alcohol into plasmalogen lipids). (PMID: 8373640 ). Sjogren-Larsson syndrome is defined by the triad of ichthyosis, mental retardation, and spasticity, and patients accumulate fatty alcohols such as Octadenol in the plasma and cultured fibroblasts. (PMID: 2241202 ). Sjogren-Larsson syndrome (SLS) is an autosomal recessive disorder associated with reduced activity of the fatty alcohol: NAD+ oxidoreductase complex (FAO). SLS patients are specifically deficient in the fatty aldehyde dehydrogenase (FALDH) component of FAO. Measurement of FAO and FALDH detection for SLS, FAO and FALDH activities in cultured skin fibroblasts using the 18-carbon substrate Octadenol is useful for SLS carrier detection. (PMID: 1583866 ). Patients with Sjogren-Larsson syndrome accumulate long-chain fatty alcohol in plasma, with a greater relative accumulation of Octadenol. (PMID: 2666627 ).

Structure

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

HMDB0002350
     RDKit          3D
Octadecanol
 57 56  0  0  0  0  0  0  0  0999 V2000
   -5.8113    3.2587    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4593    2.2984    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4449    0.8735    0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0324    0.3741    0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2388    0.4225   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8244   -0.0620   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300   -1.4846    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -2.0549    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206   -2.0568   -0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -2.6616   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -1.9235    0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614   -2.5536    0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600   -2.5509   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432   -1.1399   -1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5653   -0.3451    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866    1.1013   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5224    1.7903    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    3.2354    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982    3.2362   -0.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9630    2.9159    2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2469    4.2880    0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7222    3.3705    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5330    2.5990    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0393    2.4161   -0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0084    0.8204    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9163    0.2512   -0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1515   -0.7124    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5493    0.8671    1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1641    1.4617   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7739   -0.1604   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066    0.6015    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.0248   -1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -2.1147   -0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2916   -1.4984    1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505   -3.0445    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -1.3980    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670   -2.6613   -1.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4991   -1.0231   -1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925   -2.8668   -1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244   -3.6882   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.8441    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -1.8434    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -2.0586    1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -3.6062    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6960   -2.9137   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -3.1535   -1.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097   -0.6685   -1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -1.2386   -1.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393   -0.8217    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -0.2471    0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145    1.5967   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3499    1.1493   -1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455    1.6685    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038    1.2965    0.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    3.7370    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3845    3.6578    1.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    4.1336   -0.8684 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  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 19 57  1  0
M  END


  Mrv1652305271900242D          

 19 18  0  0  0  0            999 V2000
   30.8345  -11.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1200  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4055  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6911  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9767  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2620  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5477  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8331  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1187  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6897  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9753  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2609  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5462  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8319  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1174  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4029  -11.5261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6884  -11.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9739  -11.5261    0.0000 C   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
M  END
> <DATABASE_ID>
NP0000727

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

> <INCHI_KEY>
GLDOVTGHNKAZLK-UHFFFAOYSA-N

> <FORMULA>
C18H38O

> <MOLECULAR_WEIGHT>
270.4937

> <EXACT_MASS>
270.292265838

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
38.653860821569424

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecan-1-ol

> <ALOGPS_LOGP>
8.27

> <JCHEM_LOGP>
7.029283256

> <ALOGPS_LOGS>
-6.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.84394282199214

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096606376

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
86.54889999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.22e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
stearyl alcohol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002350
     RDKit          3D
Octadecanol
 57 56  0  0  0  0  0  0  0  0999 V2000
   -5.8113    3.2587    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4593    2.2984    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4449    0.8735    0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0324    0.3741    0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2388    0.4225   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8244   -0.0620   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300   -1.4846    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -2.0549    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206   -2.0568   -0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -2.6616   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -1.9235    0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614   -2.5536    0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600   -2.5509   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432   -1.1399   -1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5653   -0.3451    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866    1.1013   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5224    1.7903    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    3.2354    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982    3.2362   -0.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9630    2.9159    2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2469    4.2880    0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7222    3.3705    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5330    2.5990    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0393    2.4161   -0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0084    0.8204    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9163    0.2512   -0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1515   -0.7124    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5493    0.8671    1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1641    1.4617   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7739   -0.1604   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066    0.6015    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.0248   -1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -2.1147   -0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2916   -1.4984    1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505   -3.0445    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -1.3980    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670   -2.6613   -1.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4991   -1.0231   -1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925   -2.8668   -1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244   -3.6882   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.8441    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -1.8434    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -2.0586    1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -3.6062    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6960   -2.9137   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -3.1535   -1.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097   -0.6685   -1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -1.2386   -1.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393   -0.8217    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -0.2471    0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145    1.5967   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3499    1.1493   -1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455    1.6685    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038    1.2965    0.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    3.7370    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3845    3.6578    1.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    4.1336   -0.8684 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  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 19 57  1  0
M  END

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      57.558 -21.515   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      56.224 -22.285   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      54.890 -21.515   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      53.557 -22.285   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      52.223 -21.515   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      50.889 -22.285   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      49.556 -21.515   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      48.222 -22.285   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      46.888 -21.515   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      45.555 -22.285   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      44.221 -21.515   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      42.887 -22.285   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      41.554 -21.515   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      40.220 -22.285   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      38.886 -21.515   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      37.552 -22.285   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      36.219 -21.515   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      34.885 -22.285   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      33.551 -21.515   0.000  0.00  0.00           C+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                                                       
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0002350
HETATM    1  C1  UNL     1      -5.811   3.259   1.099  1.00  0.00           C  
HETATM    2  C2  UNL     1      -6.459   2.298   0.137  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.445   0.873   0.625  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.032   0.374   0.845  1.00  0.00           C  
HETATM    5  C5  UNL     1      -4.239   0.422  -0.420  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.824  -0.062  -0.242  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.830  -1.485   0.233  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.439  -2.055   0.439  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.621  -2.057  -0.801  1.00  0.00           C  
HETATM   10  C10 UNL     1       0.733  -2.662  -0.522  1.00  0.00           C  
HETATM   11  C11 UNL     1       1.510  -1.924   0.505  1.00  0.00           C  
HETATM   12  C12 UNL     1       2.861  -2.554   0.752  1.00  0.00           C  
HETATM   13  C13 UNL     1       3.660  -2.551  -0.510  1.00  0.00           C  
HETATM   14  C14 UNL     1       3.843  -1.140  -1.015  1.00  0.00           C  
HETATM   15  C15 UNL     1       4.565  -0.345   0.038  1.00  0.00           C  
HETATM   16  C16 UNL     1       4.787   1.101  -0.432  1.00  0.00           C  
HETATM   17  C17 UNL     1       5.522   1.790   0.720  1.00  0.00           C  
HETATM   18  C18 UNL     1       5.801   3.235   0.377  1.00  0.00           C  
HETATM   19  O1  UNL     1       6.598   3.236  -0.780  1.00  0.00           O  
HETATM   20  H1  UNL     1      -5.963   2.916   2.147  1.00  0.00           H  
HETATM   21  H2  UNL     1      -6.247   4.288   0.951  1.00  0.00           H  
HETATM   22  H3  UNL     1      -4.722   3.371   0.853  1.00  0.00           H  
HETATM   23  H4  UNL     1      -7.533   2.599   0.062  1.00  0.00           H  
HETATM   24  H5  UNL     1      -6.039   2.416  -0.879  1.00  0.00           H  
HETATM   25  H6  UNL     1      -7.008   0.820   1.562  1.00  0.00           H  
HETATM   26  H7  UNL     1      -6.916   0.251  -0.145  1.00  0.00           H  
HETATM   27  H8  UNL     1      -5.152  -0.712   1.113  1.00  0.00           H  
HETATM   28  H9  UNL     1      -4.549   0.867   1.695  1.00  0.00           H  
HETATM   29  H10 UNL     1      -4.164   1.462  -0.837  1.00  0.00           H  
HETATM   30  H11 UNL     1      -4.774  -0.160  -1.199  1.00  0.00           H  
HETATM   31  H12 UNL     1      -2.307   0.601   0.482  1.00  0.00           H  
HETATM   32  H13 UNL     1      -2.254  -0.025  -1.200  1.00  0.00           H  
HETATM   33  H14 UNL     1      -3.414  -2.115  -0.438  1.00  0.00           H  
HETATM   34  H15 UNL     1      -3.292  -1.498   1.261  1.00  0.00           H  
HETATM   35  H16 UNL     1      -1.550  -3.045   0.908  1.00  0.00           H  
HETATM   36  H17 UNL     1      -0.935  -1.398   1.198  1.00  0.00           H  
HETATM   37  H18 UNL     1      -1.067  -2.661  -1.626  1.00  0.00           H  
HETATM   38  H19 UNL     1      -0.499  -1.023  -1.233  1.00  0.00           H  
HETATM   39  H20 UNL     1       1.293  -2.867  -1.453  1.00  0.00           H  
HETATM   40  H21 UNL     1       0.524  -3.688  -0.095  1.00  0.00           H  
HETATM   41  H22 UNL     1       1.660  -0.844   0.215  1.00  0.00           H  
HETATM   42  H23 UNL     1       0.959  -1.843   1.486  1.00  0.00           H  
HETATM   43  H24 UNL     1       3.385  -2.059   1.591  1.00  0.00           H  
HETATM   44  H25 UNL     1       2.688  -3.606   1.129  1.00  0.00           H  
HETATM   45  H26 UNL     1       4.696  -2.914  -0.233  1.00  0.00           H  
HETATM   46  H27 UNL     1       3.244  -3.153  -1.328  1.00  0.00           H  
HETATM   47  H28 UNL     1       2.910  -0.669  -1.364  1.00  0.00           H  
HETATM   48  H29 UNL     1       4.482  -1.239  -1.936  1.00  0.00           H  
HETATM   49  H30 UNL     1       5.539  -0.822   0.229  1.00  0.00           H  
HETATM   50  H31 UNL     1       3.976  -0.247   0.963  1.00  0.00           H  
HETATM   51  H32 UNL     1       3.815   1.597  -0.583  1.00  0.00           H  
HETATM   52  H33 UNL     1       5.350   1.149  -1.366  1.00  0.00           H  
HETATM   53  H34 UNL     1       4.946   1.669   1.638  1.00  0.00           H  
HETATM   54  H35 UNL     1       6.504   1.296   0.876  1.00  0.00           H  
HETATM   55  H36 UNL     1       4.838   3.737   0.215  1.00  0.00           H  
HETATM   56  H37 UNL     1       6.385   3.658   1.216  1.00  0.00           H  
HETATM   57  H38 UNL     1       7.013   4.134  -0.868  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3   23   24
CONECT    3    4   25   26
CONECT    4    5   27   28
CONECT    5    6   29   30
CONECT    6    7   31   32
CONECT    7    8   33   34
CONECT    8    9   35   36
CONECT    9   10   37   38
CONECT   10   11   39   40
CONECT   11   12   41   42
CONECT   12   13   43   44
CONECT   13   14   45   46
CONECT   14   15   47   48
CONECT   15   16   49   50
CONECT   16   17   51   52
CONECT   17   18   53   54
CONECT   18   19   55   56
CONECT   19   57
END

HMDB0002350
     RDKit          3D
Octadecanol
 57 56  0  0  0  0  0  0  0  0999 V2000
   -5.8113    3.2587    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4593    2.2984    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4449    0.8735    0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0324    0.3741    0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2388    0.4225   -0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8244   -0.0620   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8300   -1.4846    0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4390   -2.0549    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6206   -2.0568   -0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -2.6616   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -1.9235    0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614   -2.5536    0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600   -2.5509   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432   -1.1399   -1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5653   -0.3451    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866    1.1013   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5224    1.7903    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    3.2354    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5982    3.2362   -0.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9630    2.9159    2.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2469    4.2880    0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7222    3.3705    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5330    2.5990    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0393    2.4161   -0.8792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0084    0.8204    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9163    0.2512   -0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1515   -0.7124    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5493    0.8671    1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1641    1.4617   -0.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7739   -0.1604   -1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066    0.6015    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.0248   -1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138   -2.1147   -0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2916   -1.4984    1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505   -3.0445    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350   -1.3980    1.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670   -2.6613   -1.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4991   -1.0231   -1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2925   -2.8668   -1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5244   -3.6882   -0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.8441    0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594   -1.8434    1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3854   -2.0586    1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6879   -3.6062    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6960   -2.9137   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -3.1535   -1.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097   -0.6685   -1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4818   -1.2386   -1.9362 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5393   -0.8217    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9764   -0.2471    0.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8145    1.5967   -0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3499    1.1493   -1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455    1.6685    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5038    1.2965    0.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    3.7370    0.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3845    3.6578    1.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    4.1336   -0.8684 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  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 18 55  1  0
 18 56  1  0
 19 57  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
1-Hydroxyoctadecane	ChEBI
1-Octadecanol	ChEBI
N-1-Octadecanol	ChEBI
N-Octadecanol	ChEBI
N-Octadecyl alcohol	ChEBI
Stearyl alcohol	ChEBI
Stearylalkohol	ChEBI
Octadecan-1-ol	HMDB
Alcohol stearylicus	HMDB
Alfol 18	HMDB
Atalco S	HMDB
Octadecanol NF	HMDB
Octadecyl alcohol	HMDB
Stearal	HMDB
Stearic alcohol	HMDB
Stearol	HMDB
Stearyl alcohol pure	HMDB

Chemical Formula

C₁₈H₃₈O

Average Mass

270.4937 Da

Monoisotopic Mass

270.29227 Da

IUPAC Name

octadecan-1-ol

Traditional Name

stearyl alcohol

CAS Registry Number

112-92-5

SMILES

CCCCCCCCCCCCCCCCCCO

InChI Identifier

InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

InChI Key

GLDOVTGHNKAZLK-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-03	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-03	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-03	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-03	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-03	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
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

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	2024-06-03	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Allium sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Angelica archangelica	LOTUS Database	35616633
Anser anser	FooDB	FooDB
Anthemis aciphylla	LOTUS Database	35616633
Anthemis aciphylla BOISS.var.discoidea BOISS	KNApSAcK Database	22123792
Arabidopsis thaliana	KNApSAcK Database	22123792
Artemisia vulgaris	LOTUS Database	35616633
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cassia roxburghii	LOTUS Database	35616633
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Chlamydomonas reinhardtii	LOTUS Database	35616633
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Convolvulus arvensis	LOTUS Database	35616633
Crataegus monogyna	LOTUS Database	35616633
Daphne papyracea	LOTUS Database	35616633
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Eucalyptus globulus	LOTUS Database	35616633
Gallus gallus	FooDB	FooDB
Hamamelis virginiana	LOTUS Database	35616633
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Lolium perenne	LOTUS Database	35616633
Malpighia glabra	LOTUS Database	35616633
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Mikania campanulata	LOTUS Database	35616633
Mikania cordifolia	LOTUS Database	35616633
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Piper auritum	LOTUS Database	35616633
Pongamia pinnata	LOTUS Database	35616633
Ruvettus pretiosus	LOTUS Database	35616633
Salmonella enterica	LOTUS Database	35616633
Sambucus nigra	LOTUS Database	35616633
Sinopodophyllum hexandrum	LOTUS Database	35616633
Solanum tuberosum	KNApSAcK Database	22123792
Stoebe plumosa	LOTUS Database	35616633
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB
Tanacetum longifolium	KNApSAcK Database	22123792
Vaccinium ashei	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Long-chain fatty alcohols

Alternative Parents

Substituents

Long chain fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain primary fatty alcohol (CHEBI:32154 )
fatty alcohol 18:0 (CHEBI:32154 )
Fatty alcohols (LMFA05000085 )
a long-chain alcohol (CPD-7873 )
a primary alcohol (CPD-7873 )
a fatty alcohol (CPD-7873 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	59.5 °C	Not Available
Boiling Point	210.00 °C. @ 15.00 mm Hg	The Good Scents Company Information System
Water Solubility	1.1e-06 mg/mL at 25 °C	Not Available
LogP	7.971 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
Water Solubility	5.2e-05 g/L	ALOGPS
logP	8.27	ALOGPS
logP	7.03	ChemAxon
logS	-6.7	ALOGPS
pKa (Strongest Acidic)	16.84	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	86.55 m³·mol⁻¹	ChemAxon
Polarizability	38.65 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

HMDB0002350

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

Stearyl_alcohol

METLIN ID

6640

PubChem Compound

8221

PDB ID

Not Available

ChEBI ID

32154

Good Scents ID

rw1155941

References

General References

Rizzo WB, Craft DA: Sjogren-Larsson syndrome: accumulation of free fatty alcohols in cultured fibroblasts and plasma. J Lipid Res. 2000 Jul;41(7):1077-81. [PubMed:10884288 ]
Rizzo WB, Craft DA, Judd LL, Moser HW, Moser AB: Fatty alcohol accumulation in the autosomal recessive form of rhizomelic chondrodysplasia punctata. Biochem Med Metab Biol. 1993 Aug;50(1):93-102. [PubMed:8373640 ]
Koone MD, Rizzo WB, Elias PM, Williams ML, Lightner V, Pinnell SR: Ichthyosis, mental retardation, and asymptomatic spasticity. A new neurocutaneous syndrome with normal fatty alcohol:NAD+ oxidoreductase activity. Arch Dermatol. 1990 Nov;126(11):1485-90. [PubMed:2241202 ]
Kelson TL, Craft DA, Rizzo WB: Carrier detection for Sjogren-Larsson syndrome. J Inherit Metab Dis. 1992;15(1):105-11. [PubMed:1583866 ]
Rizzo WB, Dammann AL, Craft DA, Black SH, Tilton AH, Africk D, Chaves-Carballo E, Holmgren G, Jagell S: Sjogren-Larsson syndrome: inherited defect in the fatty alcohol cycle. J Pediatr. 1989 Aug;115(2):228-34. [PubMed:2666627 ]

Showing NP-Card for Octadecanol (NP0000727)

MOL for NP0000727 (Octadecanol)

3D MOL for NP0000727 (Octadecanol)

3D SDF for NP0000727 (Octadecanol)

3D-SDF for NP0000727 (Octadecanol)

PDB for NP0000727 (Octadecanol)

3D PDB for NP0000727 (Octadecanol)

SMILES for NP0000727 (Octadecanol)

INCHI for NP0000727 (Octadecanol)

Structure for NP0000727 (Octadecanol)

3D Structure for NP0000727 (Octadecanol)