Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002772

Phytochemical name: Glycerol

Synonymous chemical names:
glycerol, glycerin, 1,2,3-propanetriol

External chemical identifiers:
CID:CID_753, ChEMBL:CHEMBL692, ChEBI:CHEBI:17754, ZINC:ZINC000000895048, FDASRS:PDC6A3C0OX, SureChEMBL:SCHEMBL797, MolPort-001-785-853

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Chemical structure information

SMILES:
OCC(CO)O

InChI:
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

InChIKey:
PEDCQBHIVMGVHV-UHFFFAOYSA-N

DeepSMILES:
OCCCO))O

Functional groups:
CO

Link to spectral information:
MSBNK-GL_Sciences_Inc-GLS00175, MSBNK-MSSJ-MSJ00059, MSBNK-MSSJ-MSJ00060, MSBNK-Osaka_Univ-OUF00254, MSBNK-RIKEN-PR010013, MSBNK-RIKEN_ReSpect-PS004805, MSBNK-RIKEN_ReSpect-PS004807, MSBNK-RIKEN_ReSpect-PS004808

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 1.055

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Chemical structure download