Structure Database (LMSD)

Common Name
10-methyl-9-hexadecenoic acid
Systematic Name
10-methyl-9-hexadecenoic acid
Synonyms
  • 9-Hexadecenoic acid, 10-methyl-
LM ID
LMFA01020266
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
FA 17:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
KDTBTCXLWGQPNR-JQIJEIRASA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-10-13-16(2)14-11-8-6-7-9-12-15-17(18)19/h14H,3-13,15H2,1-2H3,(H,18,19)/b16-14+
SMILES (Click to copy)
C(CCCCCCC/C=C(\C)/CCCCCC)(=O)O

Other Databases

LIPIDAT ID
5212
CHEBI ID
196119
PubChem CID
5312343

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.72
Molar Refractivity 82.47

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Created at
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Updated at
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