Summary

IMPPAT Phytochemical identifier: IMPHY004915

Phytochemical name: 2,3-Dipalmito-1-olein

Synonymous chemical names:
oleo-dipalmitin

External chemical identifiers:
CID:5283475, FDASRS:RJG5P4898D, SureChEMBL:SCHEMBL896319, MolPort-003-849-691

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=CCCCCCCCC

InChI:
InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-

InChIKey:
YHMDGPZOSGBQRH-QPLCGJKRSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCC))))))))))))))))))COC=O)CCCCCCC/C=CCCCCCCCC

Functional groups:
C/C=CC, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerolipids

ClassyFire Subclass: Triradylcglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Triacylglycerols

NP-Likeness score: 0.402

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Chemical structure download