Summary

IMPPAT Phytochemical identifier: IMPHY017169

Phytochemical name: 2-Butene-1,4-diol

Synonymous chemical names:
2-buten-1,4-diol

External chemical identifiers:
CID:175854, ChEMBL:CHEMBL3188586, ZINC:ZINC000005112523, FDASRS:0P6354W2W1, SureChEMBL:SCHEMBL41218, MolPort-009-199-206

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Chemical structure information

SMILES:
OC/C=C/CO

InChI:
InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+

InChIKey:
ORTVZLZNOYNASJ-OWOJBTEDSA-N

DeepSMILES:
OC/C=C/CO

Functional groups:
C/C=C/C, 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: Polyketides

NP Classifier Superclass: Miscellaneous polyketides

NP Classifier Class: Miscellaneous polyketides

NP-Likeness score: 1.816

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Chemical structure download