Structure database (LMSD)

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LM IDLMFA02000247
Common Name9-oxo-12,13-epoxy-10-octadecenoic acid
Systematic Name9-oxo-12,13-epoxy-10-octadecenoic acid
Synonyms-
Exact Mass
310.2144 (neutral)    Calculate m/z:
FormulaC18H30O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106], Epoxy fatty acids[FA0107]
AbbrevFA 18:3;O2
PubChem CID5283007
HMDB IDHMDB0013623
CHEBI ID89606
CAYMAN ID10004224
InChIKeyRCMABBHQYMBYKV-BUHFOSPRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+
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SMILES
C(CCCC(=O)/C=C/C1OC1CCCCC)CCCC(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
334.84Topological Polar
Surface Area
66.90Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP4.85Molar
Refractivity
87.93