Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004721

Phytochemical name: gamma-Linolenic acid

Synonymous chemical names:
gamma-linolenic acid, octadeca-6,9,12-trienoic acid, γ-linolenic acid, octadeca-6,9,12- trienoic acid

External chemical identifiers:
CID:CID_5280933, ChEMBL:CHEMBL464982, ChEBI:CHEBI:28661, ZINC:ZINC000003777423, FDASRS:78YC2MAX4O, SureChEMBL:SCHEMBL19418, MolPort-003-937-818

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Chemical structure information

SMILES:
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O

InChI:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-

InChIKey:
VZCCETWTMQHEPK-QNEBEIHSSA-N

DeepSMILES:
CCCCC/C=C\C/C=C\C/C=C\CCCCC=O)O

Functional groups:
C/C=C\C, CC(=O)O

Link to spectral information:
MSBNK-BS-BS003973, MSBNK-RIKEN-PR100632, MSBNK-RIKEN-PR010203, MSBNK-BS-BS003977, MSBNK-BS-BS003976, MSBNK-BS-BS003975, MSBNK-BS-BS003974, MSBNK-BGC_Munich-RP014311, MSBNK-BGC_Munich-RP014312, MSBNK-BGC_Munich-RP014303, MSBNK-BGC_Munich-RP014302, MSBNK-BGC_Munich-RP014301, MSBNK-Antwerp_Univ-METOX_N104933_3B51, MSBNK-Antwerp_Univ-METOX_N104932_D0B8, MSBNK-Antwerp_Univ-METOX_N104932_187B, MSBNK-Antwerp_Univ-METOX_N104928_B8BB, MSBNK-Antwerp_Univ-METOX_N104927_9CB7

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.134

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Chemical structure download