Summary

IMPPAT Phytochemical identifier: IMPHY011801

Phytochemical name: Elaidic acid

Synonymous chemical names:
elaidic acid, elaidic-acid

External chemical identifiers:
CID:637517, ChEMBL:CHEMBL460657, ChEBI:27997, ZINC:ZINC000008217338, FDASRS:4837010H8C, SureChEMBL:SCHEMBL6693, MolPort-000-882-023

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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-MDZDMXLPSA-N

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

Functional groups:
C/C=C/C, 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