Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017959

Phytochemical name: Ethanol

Synonymous chemical names:
Ethanol

External chemical identifiers:
CID:CID_702, ChEMBL:CHEMBL545, ChEBI:CHEBI:16236, FDASRS:3K9958V90M, SureChEMBL:SCHEMBL463, Molport-001-785-844

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Chemical structure information

SMILES:
CCO

InChI:
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

InChIKey:
LFQSCWFLJHTTHZ-UHFFFAOYSA-N

DeepSMILES:
CCO

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.598

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Chemical structure download