Summary

IMPPAT Phytochemical identifier: IMPHY011040

Phytochemical name: 3-Buten-1-ol

Synonymous chemical names:
3-butenol

External chemical identifiers:
CID:69389, ZINC:ZINC000001530356, FDASRS:3DB2KRM1I9, SureChEMBL:SCHEMBL1836, MolPort-003-927-454

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Chemical structure information

SMILES:
OCCC=C

InChI:
InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2

InChIKey:
ZSPTYLOMNJNZNG-UHFFFAOYSA-N

DeepSMILES:
OCCC=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: 1.782

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Chemical structure download