Structure database (LMSD)

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LM IDLMFA01020410
Common Name9-methyl-10Z-hexadecenoic acid
Systematic Name9-methyl-10Z-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
PubChem CID131839737
InChIKeyICUHPGFTAYIVMT-RAXLEYEMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H32O2/c1-3-4-5-7-10-13-16(2)14-11-8-6-9-12-15-17(18)19/h10,13,16H,3-9,11-12,14-15H2,1-2H3,(H,18,19)/b13-10-
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SMILES
C(CCCCCCCC(C)/C=C\CCCCC)(=O)O
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StatusActive
ReferencesS. F. Lie Ken Jie, Marcel and Khysar Pasha, Mohammed. Fatty acids, fatty acid analogues and their derivatives. Nat. Prod. Rep., 1998,15, 607-629
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
 logP5.57Molar
Refractivity
82.40