Structure Database (LMSD)

Common Name
alpha-Linolenic acid
Systematic Name
9Z,12Z,15Z-octadecatrienoic acid
Synonyms
  • cis-9, cis-12, cis-15-octadecatrienoic acid
  • C18:3n-3,6,9
LM ID
LMFA01030152
Status
Active
Exact Mass
Calculate m/z
278.22458
Formula
C18H30O2
Abbrev
FA 18:3
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Octadecanoids [FA02]

String Representations

InChiKey (Click to copy)
DTOSIQBPPRVQHS-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCCCC(=O)O)/C=C\C/C=C\C/C=C\CC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

Other Databases

Wikipedia
alpha-linolenic acid
KEGG ID
C06427
HMDB ID
HMDB0001388
CHEBI ID
27432
LIPIDBANK ID
DFA0191
PubChem CID
5280934
PlantFA ID
10114
SwissLipids ID
SLM:000001101
Cayman ID
27359

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 326.98
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.66
Molar Refractivity 86.90

Reactions

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Created at
-
Updated at
25th Apr 2022