Structure Database (LMSD)

Common Name
4-heptyl-2-methyl-2-undecenoic acid
Systematic Name
4-heptyl-2-methyl-2-undecenoic acid
Synonyms
LM ID
LMFA01020138
Formula
C19H36O2
Exact Mass
Calculate m/z
296.27153
Sum Composition
FA 19:1
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)
LJWGTWOYHJBWJZ-WUKNDPDISA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-4-6-8-10-12-14-18(16-17(3)19(20)21)15-13-11-9-7-5-2/h16,18H,4-15H2,1-3H3,(H,20,21)/b17-16+
SMILES (Click to copy)
C(C)CCCCCC(CCCCCCC)/C=C(\C)/C(=O)O

Other Databases

CHEBI ID
196580
LIPIDBANK ID
DFA7106
PubChem CID
5282677

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 349.56
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.35
Molar Refractivity 91.63

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Created at
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Updated at
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