Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000077

Phytochemical name: Linoleic acid

Synonymous chemical names:
linoleic acids, linoleic, (z,z)-9,12-octadecadienoic acid (linoleic acid), linoleic acid, (e,e)-9,12-octadecadienoic acid (syn. linoleic acid), linolic acid, (z,z,z)-9,12,15-octadecatrienoic acid (linoleic acid), Linoleic Acid

External chemical identifiers:
CID:CID_5280450, ChEMBL:CHEMBL267476, ChEBI:CHEBI:17351, ZINC:ZINC000004474613, FDASRS:9KJL21T0QJ, SureChEMBL:SCHEMBL7067, MolPort-001-788-459

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Chemical structure information

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

InChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-

InChIKey:
OYHQOLUKZRVURQ-HZJYTTRNSA-N

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

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

Link to spectral information:
MSBNK-Eawag-EQ331655, MSBNK-ISAS_Dortmund-IA000127, MSBNK-RIKEN_ReSpect-PS027804, MSBNK-ISAS_Dortmund-IA000128, MSBNK-ISAS_Dortmund-IA000129, MSBNK-ISAS_Dortmund-IA000301, MSBNK-ISAS_Dortmund-IA000302, MSBNK-ISAS_Dortmund-IA000303, MSBNK-ISAS_Dortmund-IA000496, MSBNK-ISAS_Dortmund-IA000497, MSBNK-Keio_Univ-KO001296, MSBNK-Keio_Univ-KO001295, MSBNK-Keio_Univ-KO001297, MSBNK-Keio_Univ-KO001298, MSBNK-Keio_Univ-KO001299, MSBNK-Kyoto_Univ-CA000167, MSBNK-RIKEN-PR010199, MSBNK-RIKEN_ReSpect-PS027801, MSBNK-RIKEN_ReSpect-PS027802, MSBNK-RIKEN_ReSpect-PS027803, MSBNK-ISAS_Dortmund-IA000498, MSBNK-Eawag-EQ331654, MSBNK-Eawag-EQ331606, MSBNK-Eawag-EQ331652, MSBNK-Eawag-EQ331653, MSBNK-Antwerp_Univ-METOX_N105527_9CB7, MSBNK-Antwerp_Univ-METOX_N105528_B8BB, MSBNK-Antwerp_Univ-METOX_N105553_60AD, MSBNK-BGC_Munich-RP029501, MSBNK-BGC_Munich-RP029502, MSBNK-BGC_Munich-RP029503, MSBNK-BGC_Munich-RP029511, MSBNK-BS-BS001064, MSBNK-BGC_Munich-RP029512, MSBNK-BS-BS001066, MSBNK-BS-BS001067, MSBNK-BS-BS001068, MSBNK-Eawag-EQ331601, MSBNK-Eawag-EQ331602, MSBNK-Eawag-EQ331603, MSBNK-Eawag-EQ331604, MSBNK-Eawag-EQ331605, MSBNK-Eawag-EQ331651, MSBNK-BS-BS001065

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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: 1.187

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Chemical structure download