Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002950

Phytochemical name: 1-Butanol

Synonymous chemical names:
1-butanol, butan- 1-01, 1-butanol*, butyl alcohol, butan-1-ol, butanol, n-butanol

External chemical identifiers:
CID:CID_263, ChEMBL:CHEMBL14245, ChEBI:CHEBI:28885, ZINC:ZINC000001530354, FDASRS:8PJ61P6TS3, SureChEMBL:SCHEMBL532, MolPort-000-872-034

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Chemical structure information

SMILES:
CCCCO

InChI:
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3

InChIKey:
LRHPLDYGYMQRHN-UHFFFAOYSA-N

DeepSMILES:
CCCCO

Functional groups:
CO

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP001853

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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: 0.861

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Chemical structure download