Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000075

Phytochemical name: Oleic acid

Synonymous chemical names:
oleic-acid, oleic acd, oleic, oleic acid, Oleic acid, cis-oleic acid, Oleic Acid, oleate, cis-9-octadecenoic acid, oleic acid, z-9-octadecenoic acid

External chemical identifiers:
CID:CID_445639, ChEMBL:CHEMBL8659, ChEBI:CHEBI:16196, ZINC:ZINC000006845860, FDASRS:2UMI9U37CP, SureChEMBL:SCHEMBL1138, MolPort-001-788-274

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Chemical structure information

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

InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

InChIKey:
ZQPPMHVWECSIRJ-KTKRTIGZSA-N

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

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

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS031502, MSBNK-RIKEN_ReSpect-PS031501, MSBNK-RIKEN-PR010209, MSBNK-Kyoto_Univ-CA000168, MSBNK-BS-BS003992, MSBNK-BS-BS003991, MSBNK-BS-BS003989, MSBNK-BS-BS003988, MSBNK-BGC_Munich-RP029012, MSBNK-BGC_Munich-RP029011, MSBNK-Antwerp_Univ-METOX_N106926_B8BB, MSBNK-Antwerp_Univ-METOX_N106926_9CB7, MSBNK-BS-BS003990

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 0.869

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Chemical structure download