Structure Database (LMSD)

Common Name
7-methyl-6E-hexadecenoic acid
Systematic Name
7-methyl-6E-hexadecenoic acid
Synonyms
LM ID
LMFA01020203
Formula
C17H32O2
Exact Mass
Calculate m/z
268.240231
Sum Composition
FA 17:1
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Amphimedon (#178513)
Demospongiae (#6042)
Identification of the new 11,15-icosadienoic acid and related acids in the sponge Amphimedon complanata.,
J Nat Prod, 1991
Pubmed ID: 2045822

String Representations

InChiKey (Click to copy)
DINXWFVSXJCVPK-JQIJEIRASA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-10-13-16(2)14-11-9-12-15-17(18)19/h14H,3-13,15H2,1-2H3,(H,18,19)/b16-14+
SMILES (Click to copy)
C(CCCC/C=C(\C)/CCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
5211
CHEBI ID
196118
PubChem CID
5312300

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.72
Molar Refractivity 82.47

Admin

Created at
-
Updated at
25th Mar 2021