Structure Database (LMSD)

Common Name
14-methyl-4-pentadecenoic acid
Systematic Name
14-methyl-4-pentadecenoic acid
Synonyms
LM ID
LMFA01020140
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
Status
Curated
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)
CJTYPEFCSFAJMF-NTMALXAHSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h8,10,15H,3-7,9,11-14H2,1-2H3,(H,17,18)/b10-8-
SMILES (Click to copy)
C(CC/C=C\CCCCCCCCC(C)C)(=O)O

Other Databases

CHEBI ID
179830
LIPIDBANK ID
DFA7108
PubChem CID
52921724

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.18
Molar Refractivity 77.78

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Created at
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Updated at
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