Summary

IMPPAT Phytochemical identifier: IMPHY000442

Phytochemical name: Glyceryl 1,3-distearate

Synonymous chemical names:
1,3-distearin, stearic acid glyceride

External chemical identifiers:
CID:101269, ChEMBL:CHEMBL3989749, ZINC:ZINC000077293170, FDASRS:733QK35BCI, SureChEMBL:SCHEMBL118948, MolPort-003-941-163

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O

InChI:
InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3

InChIKey:
IZHVBANLECCAGF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OCCCOC=O)CCCCCCCCCCCCCCCCC))))))))))))))))))))O

Functional groups:
CO, 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: Diradylglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Triacylglycerols

NP-Likeness score: 0.263

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Chemical structure download