Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006956

Phytochemical name: 3-Pentanol

Synonymous chemical names:
pentan-3-ol, 3-pentanol

External chemical identifiers:
CID:CID_11428, ChEMBL:CHEMBL47100, ChEBI:CHEBI:77519, ZINC:ZINC000001648159, FDASRS:X4ELC182I5, SureChEMBL:SCHEMBL5341, MolPort-001-759-257

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Chemical structure information

SMILES:
CCC(CC)O

InChI:
InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

InChIKey:
AQIXEPGDORPWBJ-UHFFFAOYSA-N

DeepSMILES:
CCCCC))O

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: 0.632

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Chemical structure download