Summary
IMPPAT Phytochemical identifier: IMPHY007583
Phytochemical name: 1,2-Dioleoyl-3-linoleoyl-rac-glycerol
Synonymous chemical names:dioleolinolein
External chemical identifiers:CID:9544252, FDASRS:9790LE118Y, SureChEMBL:SCHEMBL2733891, MolPort-003-846-940
Chemical structure information
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=CC/C=CCCCCC)COC(=O)CCCCCCC/C=CCCCCCCCCInChI:
InChI=1S/C57H102O6/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/h16,19,25-30,54H,4-15,17-18,20-24,31-53H2,1-3H3/b19-16-,28-25-,29-26-,30-27-InChIKey:
JTMWOTXEVWLTTO-KTKRTRQNSA-NDeepSMILES:
CCCCCCCC/C=CCCCCCCCC=O)OCCOC=O)CCCCCCC/C=CC/C=CCCCCC))))))))))))))))))))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: 0.477
Chemical structure download
