Summary
IMPPAT Phytochemical identifier: IMPHY003587
Phytochemical name: Triolein
Synonymous chemical names:triolein, triolein (26.3%)
External chemical identifiers:CID:5497163, ChEMBL:CHEMBL4297656, ChEBI:53753, ZINC:ZINC000085545180, FDASRS:O05EC62663, SureChEMBL:SCHEMBL23730, MolPort-003-939-761
Chemical structure information
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=CCCCCCCCC)COC(=O)CCCCCCC/C=CCCCCCCCCInChI:
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-InChIKey:
PHYFQTYBJUILEZ-IUPFWZBJSA-NDeepSMILES:
CCCCCCCC/C=CCCCCCCCC=O)OCCOC=O)CCCCCCC/C=CCCCCCCCC))))))))))))))))))))COC=O)CCCCCCC/C=CCCCCCCCCFunctional groups:
C/C=CC, COC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Glycerolipids
ClassyFire Subclass: Triradylcglycerols
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Glycerolipids
NP Classifier Class: Triacylglycerols
NP-Likeness score: 0.376
Chemical structure download
