Structure Database (LMSD)

Common Name
14S-methyl-8Z-hexadecenoic acid
Systematic Name
14S-methyl-8Z-hexadecenoic acid
Synonyms
  • 8-Hexadecenoic acid, 14-methyl-, [S-(Z)]-
LM ID
LMFA01020268
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)
DIOQBMNVXMZLDE-LEXSJLIMSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h4,6,16H,3,5,7-15H2,1-2H3,(H,18,19)/b6-4-/t16-/m0/s1
SMILES (Click to copy)
C(CCCCCC/C=C\CCCC[C@@H](C)CC)(=O)O

Other Databases

LIPIDAT ID
5217
CHEBI ID
196120
PubChem CID
5312345

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 5.57
Molar Refractivity 82.40

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Created at
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Updated at
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