Summary

IMPPAT Phytochemical identifier: IMPHY006306

Phytochemical name: Diacylglycerol

Synonymous chemical names:
diacylglycerol

External chemical identifiers:
CID:6026790

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)CO

InChI:
InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17+

InChIKey:
YEJYLHKQOBOSCP-ISLYRVAYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCC/C=C/CCCCCCCC)))))))))))))))))))CO

Functional groups:
C/C=C/C, 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: Diacylglycerols

NP-Likeness score: 0.744

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Chemical structure download