Summary

IMPPAT Phytochemical identifier: IMPHY010903

Phytochemical name: 1-Stearoyl-sn-glycerol

Synonymous chemical names:
1-o-octadecanoyl glycerol, 1-o-octadecanoylglycerol, glycerol 1-stearate

External chemical identifiers:
CID:15560610, ChEBI:75550, ZINC:ZINC000032839026, SureChEMBL:SCHEMBL4386555

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O

InChI:
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1

InChIKey:
VBICKXHEKHSIBG-FQEVSTJZSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)OC[C@H]CO))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: Monoradylglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Monoacylglycerols

NP-Likeness score: 0.65

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Chemical structure download