Structure database (LMSD)

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LM IDLMFA01020428
Common Name6-methyl-9-heptadecenoic acid
Systematic Name6-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 CID-
InChIKeyADPXSSSUBLSXMG-VAWYXSNFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-19(2)17-14-15-18-20(21)22/h11-12,19H,3-10,13-18H2,1-2H3,(H,21,22)/b12-11+
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SMILES
C(CCCCC(C)CC/C=C/CCCCCCCCC)(=O)O
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StatusActive
ReferencesPurification and characterization of new fatty acids with antibiotic activity produced by Sporothrix flocculosa
Journal of Chemical Ecology, 1996
DOI: 10.1007/BF02033644
PMID: 24227481
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