Structure Database (LMSD)

Common Name
10(S)-hydroxy-8E-octadecenoic acid
Systematic Name
10(S)-hydroxyoctadec-8E-enoic acid
Synonyms
LM ID
LMFA01031133
Formula
C18H34O3
Exact Mass
Calculate m/z
298.250795
Sum Composition
FA 18:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]
Octadecanoids [FA02]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Schizosaccharomyces pombe (#4896)
Schizosaccharomycetes (#147554)
Identification of novel secreted fatty acids that regulate nitrogen catabolite repression in fission yeast.,
Sci Rep, 2016
Pubmed ID: 26892493

String Representations

InChiKey (Click to copy)
RXBFKZNLXJKTLQ-VMEIHUARSA-N
InChi (Click to copy)
InChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h12,15,17,19H,2-11,13-14,16H2,1H3,(H,20,21)/b15-12+/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCC/C=C/[C@@H](O)CCCCCCCC)(=O)O

Other Databases

CHEBI ID
75828
PubChem CID
13801083
Cayman ID
33246

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 341.05
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 88.99

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Updated at
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