Structure Database (LMSD)

Common Name
5Z-octadecenoic acid
Systematic Name
5Z-octadecenoic acid
Synonyms
  • C18:1n-13
LM ID
LMFA01030296
Formula
C18H34O2
Exact Mass
Calculate m/z
282.25588
Sum Composition
FA 18:1
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]
Octadecanoids [FA02]

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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Reactions graph legend

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
Homo sapiens (#9606)
Mammalia (#40674)
Apocryphal FADS2 activity promotes fatty acid diversification in cancer.,
Cell Rep, 2021
Pubmed ID: 33567271

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

Other Databases

LIPIDAT ID
5751
CHEBI ID
196201
PubChem CID
5312447
PlantFA ID
10068

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

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Created at
-
Updated at
25th Apr 2022