Summary

IMPPAT Phytochemical identifier: IMPHY007412

Phytochemical name: Octadecanoic acid, 2,3-bis[(1-oxohexadecyl)oxy]propyl ester

Synonymous chemical names:
dipalmitostearin

External chemical identifiers:
CID:91865524, SureChEMBL:SCHEMBL2678858, MolPort-046-856-768

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C53H102O6/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/h50H,4-49H2,1-3H3

InChIKey:
DQKMNCLZNGAXNX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCC)))))))))))))))))COC=O)CCCCCCCCCCCCCCC

Functional groups:
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: 0.225

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Chemical structure download