Summary
IMPPAT Phytochemical identifier: IMPHY010094
Phytochemical name: Tristearin
Synonymous chemical names:glyceryl tristearate, stearin, triacyl glycerol, triacylglycerol, tristearin
External chemical identifiers:CID:11146, ChEBI:45956, ZINC:ZINC000085545202, FDASRS:P6OCJ2551R, SureChEMBL:SCHEMBL9507, MolPort-003-938-618
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCInChI:
InChI=1S/C57H110O6/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/h54H,4-53H2,1-3H3InChIKey:
DCXXMTOCNZCJGO-UHFFFAOYSA-NDeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCCCC))))))))))))))))))))COC=O)CCCCCCCCCCCCCCCCCFunctional groups:
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: 0.21
Chemical structure download
