Structure Database (LMSD)

Common Name
15-methyl-heptadecanoic acid
Systematic Name
15-methyl-heptadecanoic acid
Synonyms
LM ID
LMFA01020205
Formula
C18H36O2
Exact Mass
Calculate m/z
284.27153
Sum Composition
FA 18:0
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]

String Representations

InChiKey (Click to copy)
MAFSBQRWNXDTRK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCCCCC(C)CC)(=O)O

Other Databases

LIPIDAT ID
1689
CHEBI ID
196220
PubChem CID
4169198

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 334.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.19
Molar Refractivity 87.11

Admin

Created at
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Updated at
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