Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID004595
Phytochemical name: Elaidic acid
Synonymous chemical names:elaidic-acid, elaidic acid
External chemical identifiers:CID:CID_637517, ChEMBL:CHEMBL460657, ChEBI:CHEBI:27997, ZINC:ZINC000008217338, FDASRS:4837010H8C, SureChEMBL:SCHEMBL6693, MolPort-000-882-023
Chemical structure information
SMILES:
CCCCCCCC/C=C/CCCCCCCC(=O)OInChI:
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-NDeepSMILES:
CCCCCCCC/C=C/CCCCCCCC=O)OFunctional groups:
C/C=C/C, CC(=O)OLink to spectral information:
MSBNK-Antwerp_Univ-METOX_N104526_9CB7, MSBNK-Antwerp_Univ-METOX_N104526_B8BB
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire 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
Chemical structure download
