Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001081

Phytochemical name: 2,3-Dihydroxypropyl acetate

Synonymous chemical names:
acetin

External chemical identifiers:
CID:CID_33510, FDASRS:1NA86SF2H2, SureChEMBL:SCHEMBL33457, MolPort-006-110-613

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Chemical structure information

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

InChI:
InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3

InChIKey:
KMZHZAAOEWVPSE-UHFFFAOYSA-N

DeepSMILES:
CC=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-Likeness score: 1.891

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Chemical structure download