Summary

IMPPAT Phytochemical identifier: IMPHY005769

Phytochemical name: Glycerol 1,2-dioctacosanoate

Synonymous chemical names:
glycerol 1,2-dioctacosanoate

External chemical identifiers:
CID:19421331, SureChEMBL:SCHEMBL11979363

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CO

InChI:
InChI=1S/C59H116O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(61)63-56-57(55-60)64-59(62)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57,60H,3-56H2,1-2H3

InChIKey:
YFICNBBIYKTBLK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)))))))))))))))))))))))))))))CO

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: Diacylglycerols

NP-Likeness score: 0.325

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Chemical structure download