Summary
IMPPAT Phytochemical identifier: IMPHY002896
Phytochemical name: 1,2-Dioleoyl-3-palmitoylglycerol
Synonymous chemical names:palmitodiolein
External chemical identifiers:CID:25240174, ChEBI:75848, FDASRS:YDE56N1T4L, SureChEMBL:SCHEMBL2733340, MolPort-046-417-988
Chemical structure information
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCInChI:
InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-InChIKey:
JFISYPWOVQNHLS-LBXGSASVSA-NDeepSMILES:
CCCCCCCC/C=CCCCCCCCC=O)OCCOC=O)CCCCCCC/C=CCCCCCCCC)))))))))))))))))))COC=O)CCCCCCCCCCCCCCCFunctional 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: 0.389
Chemical structure download
