Structure Database (LMSD)

Common Name
6Z-heptadecenoic acid
Systematic Name
6Z-heptadecenoic acid
Synonyms
LM ID
LMFA01031186
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
FA 17:1
Status
Active
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]

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VQEVXOWSSYAKJT-QXMHVHEDSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h11-12H,2-10,13-16H2,1H3,(H,18,19)/b12-11-
SMILES (Click to copy)
C(CCCC/C=C\CCCCCCCCCC)(=O)O

Other Databases

PubChem CID
14029774

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
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
21st Jun 2020
Updated at
25th Apr 2022