Structure database (LMSD)

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LM IDLMFA01020203
Common Name7-methyl-6E-hexadecenoic acid
Systematic Name7-methyl-6E-hexadecenoic acid
Synonyms-
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 17:1
LIPIDAT ID5211
PubChem CID5312300
InChIKeyDINXWFVSXJCVPK-JQIJEIRASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-10-13-16(2)14-11-9-12-15-17(18)19/h14H,3-13,15H2,1-2H3,(H,18,19)/b16-14+
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SMILES
C(CCCC/C=C(\C)/CCCCCCCCC)(=O)O
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StatusActive
ReferencesIdentification of the new 11,15-icosadienoic acid and related acids in the sponge Amphimedon complanata.
J Nat Prod, 1991
DOI: 10.1021/np50073a043
PMID: 2045822
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
314.96Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.72Molar
Refractivity
82.47