Structure Database (LMSD)

Common Name
anteiso-heptadeca-9,13-dienoic acid
Systematic Name
14-methyl-hexadeca-9,13-dienoic acid
Synonyms
LM ID
LMFA01031236
Formula
C17H30O2
Exact Mass
Calculate m/z
266.22458
Sum Composition
FA 17:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Halpernia frigidisoli (#1125876)
Flavobacteriia (#117743)
Identification of a novel fatty acid in the cell membrane of Chryseobacterium frigidisoli PB4T isolated from an East Antarctic glacier forefield,
Organic Geochemistry Volume 106, April 2017, Pages 68-75, 2017

String Representations

InChiKey (Click to copy)
GDRUZUOQVOOIRW-CIINBXFRSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,14H,3-5,7,9-13,15H2,1-2H3,(H,18,19)/b8-6-,16-14-
SMILES (Click to copy)
C(CCCCCCC/C=C\CC/C=C(/C)\CC)(=O)O

Other Databases

PubChem CID
171119286

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 312.32
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.49
Molar Refractivity 82.38

Admin

Created at
12th Feb 2021
Updated at
12th Feb 2021