Structure Database (LMSD)

O OH
Common Name
2-methyl-16-heptadecenoic acid
Systematic Name
2-methyl-16-heptadecenoic acid
Synonyms
LM ID
LMFA01020206
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
FA 18:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
FPNOYKBGQRIKKZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h3,17H,1,4-16H2,2H3,(H,19,20)
SMILES (Click to copy)
C(C(C)CCCCCCCCCCCCCC=C)(=O)O

References

Other Databases

LIPIDAT ID
5181
CHEBI ID
188159
PubChem CID
5312302

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.96
Molar Refractivity 87.02

Admin

Created at
-
Updated at
-