Summary

IMPPAT Phytochemical identifier: IMPHY009633

Phytochemical name: 4-Penten-1-OL

Synonymous chemical names:
pent-4-en-1-ol

External chemical identifiers:
CID:13181, ZINC:ZINC000001632700, FDASRS:W0558TQC6F, SureChEMBL:SCHEMBL30955, MolPort-001-780-262

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Chemical structure information

SMILES:
OCCCC=C

InChI:
InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2

InChIKey:
LQAVWYMTUMSFBE-UHFFFAOYSA-N

DeepSMILES:
OCCCC=C

Functional groups:
C=CC, 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: 1.833

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Chemical structure download