Summary

IMPPAT Phytochemical identifier: IMPHY011797

Phytochemical name: Oleic acid

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

External chemical identifiers:
CID:445639, ChEMBL:CHEMBL8659, ChEBI:16196, ZINC:ZINC000006845860, FDASRS:2UMI9U37CP, SureChEMBL:SCHEMBL1138, MolPort-001-788-274

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Chemical structure information

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

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

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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