Summary
IMPPAT Phytochemical identifier: IMPHY004965
Phytochemical name: Trilinolein
Synonymous chemical names:linolein, tri-linolein, trilinolein
External chemical identifiers:CID:5322095, ChEMBL:CHEMBL3343985, ChEBI:75844, ZINC:ZINC000085545162, FDASRS:V5LJ52OGS7, SureChEMBL:SCHEMBL114944, MolPort-003-939-718
Chemical structure information
SMILES:
CCCCC/C=CC/C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=CC/C=CCCCCC)COC(=O)CCCCCCC/C=CC/C=CCCCCCInChI:
InChI=1S/C57H98O6/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/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-InChIKey:
HBOQXIRUPVQLKX-BBWANDEASA-NDeepSMILES:
CCCCC/C=CC/C=CCCCCCCCC=O)OCCOC=O)CCCCCCC/C=CC/C=CCCCCC))))))))))))))))))))COC=O)CCCCCCC/C=CC/C=CCCCCCFunctional 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: 0.477
Chemical structure download
