Structure database (LMSD)

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LM IDLMFA01020426
Common Name16-methyl-9E-nonadecenoic acid
Systematic Name16-methyl-9E-nonadecenoic acid
Synonyms-
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
AbbrevFA 20:1
PubChem CID101679910
InChIKeySDEKLJPUPCJPTQ-GQCTYLIASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H38O2/c1-3-16-19(2)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(21)22/h4,6,19H,3,5,7-18H2,1-2H3,(H,21,22)/b6-4+
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SMILES
C(CCCCCCC/C=C/CCCCCC(C)CCC)(=O)O
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StatusActive
ReferencesNew extracellular fatty acids in culture filtrates of Sporothrix flocculosa and S. rugulosa
Canadian Journal of Chemistry, 1995,
DOI: 10.1139/v95-012
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
366.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.74Molar
Refractivity
96.25