Summary

IMPPAT Phytochemical identifier: IMPHY017031

Phytochemical name: Succinaldehyde

Synonymous chemical names:
di acetal

External chemical identifiers:
CID:12524, ChEBI:80762, ZINC:ZINC000001712672, FDASRS:503177591, SureChEMBL:SCHEMBL35238, MolPort-005-941-902

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Chemical structure information

SMILES:
O=CCCC=O

InChI:
InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2

InChIKey:
PCSMJKASWLYICJ-UHFFFAOYSA-N

DeepSMILES:
O=CCCC=O

Functional groups:
CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.193

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Chemical structure download