Structure database (LMSD)

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LM IDLMFA01031025
Common Name9-hydroxy-10-Octadecen-12-ynoic acid
Systematic Name9S-hydroxy-10E-Octadecen-12-ynoic acid
Synonyms10-Octadecen-12-ynoic acid, 9-hydroxy-, (9S,10E)-; S-9-Hydroxy-E-10-octadecen-
12-ynoic acid; S-9-Hydroxy-E-10-octadecen-12-insaeure; 9-Hydroxy-10t-octadecen-
12-ynoic acid; 9-Hydroxy-10t-octadecen-12-insaeure
Exact Mass
294.2195 (neutral)    Calculate m/z:
FormulaC18H30O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesHydroxy fatty acids[FA0105], Octadecanoids[FA02]
PubChem CID20054934
PlantFA ID10281
InChIKeyAUBZNAUZNGCKAN-GWKQRERASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h11,14,
17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b14-11+/t17-/m1/s1
SMILESC(CCCCCCC[C@H](O)/C=C/C#CCCCCC)(=O)O
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