Structure database (LMSD)

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LM IDLMFA02000228
Common Name13S-HODE
Systematic Name13S-hydroxy-9Z,11E-octadecadienoic acid
Synonyms(9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid; 13-HODE
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID6443013
KEGG IDC14762
HMDB IDHMDB0004667
PlantFA ID10278
SWISSLIPIDS IDSLM:000501150
CAYMAN ID38610
InChIKeyHNICUWMFWZBIFP-IRQZEAMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12
,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
SMILESOC(=O)CCCCCCC/C=C\C=C\[C@@H](O)CCCCC
MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
338.41Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP5.14Molar
Refractivity
88.90