Structure Database (LMSD)

O OH
Common Name
Isooctadecenoic acid
Systematic Name
16-methyl-6Z-heptadecenoic acid
Synonyms
  • isocis-6-oleic acid
LM ID
LMFA01020439
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]

String Representations

InChiKey (Click to copy)
MDNOJOQIMZMXKF-VURMDHGXSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h6,8,17H,3-5,7,9-16H2,1-2H3,(H,19,20)/b8-6-
SMILES (Click to copy)
C(CCCC/C=C\CCCCCCCCC(C)C)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Micrococcus sp. (#1271)
Actinomycetia (#1760)
Two novel iso-branched octadecenoic acids from a Micrococcus species.,
J Nat Prod, 2000
Pubmed ID: 11087614

Other Databases

PubChem CID
10708066

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
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
20th Jun 2020
Updated at
21st Jun 2020