Structure database (LMSD)

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LM IDLMFA01050594
Common Name-
Systematic NameMethyl 10R-hydroxydodec-8E-en-11-ynoate
Synonyms-
Exact Mass
224.1412 (neutral)    Calculate m/z:
FormulaC13H20O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroxy fatty acids [FA0105]
AbbrevFA 13:3;O
PubChem CID10751621
InChIKeyLQSJBMSGPQIZBT-OANVXVOSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C13H20O3/c1-3-12(14)10-8-6-4-5-7-9-11-13(15)16-2/h1,8,10,12,14H,4-7,9,11H2,2H3/b10-8+/t12-/m0/s1
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SMILES
C(CCCCCC/C=C/[C@@H](O)C#C)(=O)OC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16RingsAromatic RingsRotatable Bonds9
 van der Waals
Molecular Volume
249.27Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP2.34Molar
Refractivity
64.21