Structure database (LMSD)

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LM IDLMFA02000150
Common NameRicinelaidic acid (W)
Systematic Name12-hydroxy-9E-octadecenoic acid
Synonyms12-hydroxy-trans-9-octadecenoic acid
Exact Mass
298.2508 (neutral)    Calculate m/z:
FormulaC18H34O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
AbbrevFA 18:1;O
PubChem CID5282943
CHEBI ID85641
SWISSLIPIDS IDSLM:000390173
InChIKeyWBHHMMIMDMUBKC-FMIVXFBMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+
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SMILES
C(CCCCCCC(=O)O)/C=C/CC(O)CCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
341.05Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.37Molar
Refractivity
88.99