Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006171

Phytochemical name: Glyceryl behenate

Synonymous chemical names:
glyceryl behenate, behenin

External chemical identifiers:
CID:CID_5362585, ChEBI:CHEBI:142497, FDASRS:A626UU0W2A, SureChEMBL:SCHEMBL3805

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

InChI:
InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h24,26-27H,2-23H2,1H3

InChIKey:
OKMWKBLSFKFYGZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)OCCCO))O

Functional groups:
COC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerolipids

ClassyFire Subclass: Monoradylglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Monoacylglycerols

NP-Likeness score: 0.56

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Chemical structure download