Structure database (LMSD)

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LM IDLMFA02000238
Common Name(9S,10S)-9,10-dihydroxyoctadecanoic acid
Systematic Name9S,10S-dihydroxyoctadecanoic acid
Synonyms(9S,10S)-9,10-dihydroxystearic acid
Exact Mass
316.2614 (neutral)    Calculate m/z:
FormulaC18H36O4
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesHydroxy fatty acids[FA0105]
PubChem CID12235230
KEGG IDC15988
HMDB IDHMDB0059633
CHEBI ID49254
SWISSLIPIDS IDSLM:000390049
InChIKeyVACHUYIREGFMSP-IRXDYDNUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17-/m0/s1
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SMILES
C(O)(=O)CCCCCCC[C@H](O)[C@@H](O)CCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
352.48Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.85Molar
Refractivity
90.99