Structure Database (LMSD)

Common Name
2-methyl-hexadecanoic acid
Systematic Name
2-methyl-hexadecanoic acid
Synonyms
LM ID
LMFA01020092
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
FA 17:0
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)
AXPAUZGVNGEWJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCC)CC(C)C(=O)O

Other Databases

CHEBI ID
85057
LIPIDBANK ID
DFA7060
PubChem CID
117384

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.80
Molar Refractivity 82.49

Admin

Created at
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Updated at
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