Structure Database (LMSD)

Common Name
2-methyl-4-oxo-pentadecanoic acid
Systematic Name
2-methyl-4-oxo-pentadecanoic acid
Synonyms
LM ID
LMFA01060104
Formula
C16H30O3
Exact Mass
Calculate m/z
270.219495
Sum Composition
FA 16:1;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
GVHVXECTVZRTNB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-14(2)16(18)19/h14H,3-13H2,1-2H3,(H,18,19)
SMILES (Click to copy)
C(C(C)CC(=O)CCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5282
CHEBI ID
196127
PubChem CID
5312897

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 306.45
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.59
Molar Refractivity 78.27

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Created at
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Updated at
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