Structure database (LMSD)

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LM IDLMFA02000215
Common Name8-hydroxy-11Z-octadecen-9-ynoic acid
Systematic Name8-hydroxy-11Z-octadecen-9-ynoic acid
SynonymsAcetylenic acids; 11-Octadecen-9-ynoic acid, 8-hydroxy-, (Z)-
Exact Mass
294.2195 (neutral)    Calculate m/z:
FormulaC18H30O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 18:3;O
LIPIDAT ID4866
PubChem CID5312855
InChIKeyOTAWOAZBNLPFQR-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h7-8,17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-7-
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SMILES
C(CCCCCCC(O)C#C/C=C\CCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
335.77Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.59Molar
Refractivity
87.53