Structure Database (LMSD)
Common Name
5Z-octadecenoic acid
Systematic Name
5Z-octadecenoic acid
Synonyms
- C18:1n-13
3D model of 5Z-octadecenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
AQWHMKSIVLSRNY-YPKPFQOOSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13-14H,2-12,15-17H2,1H3,(H,19,20)/b14-13-
SMILES (Click to copy)
C(CCC/C=C\CCCCCCCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Dioscoreophyllum cumminsii
(#3457)
Magnoliopsida
(#3398)
The abundance ofcis-5-octadecenoic acid inDioscoreophyllum cumminsii seed oil,
Lipids, 1972
Lipids, 1972
DOI:
10.1007/BF02531517
Homo sapiens
(#9606)
Mammalia
(#40674)
Apocryphal FADS2 activity promotes fatty acid diversification in cancer.,
Cell Rep, 2021
Cell Rep, 2021
Pubmed ID:
33567271
Other Databases
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
6.11
Molar Refractivity
87.09
Reactions
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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.
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Admin
Created at
-
Updated at
25th Apr 2022