Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007880

Phytochemical name: 5-Hydroxypentanal

Synonymous chemical names:
pentanal (5-hydroxy)

External chemical identifiers:
CID:CID_20205, ZINC:ZINC000001690994, SureChEMBL:SCHEMBL196890, MolPort-001-781-605

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Chemical structure information

SMILES:
OCCCCC=O

InChI:
InChI=1S/C5H10O2/c6-4-2-1-3-5-7/h4,7H,1-3,5H2

InChIKey:
CNRGMQRNYAIBTN-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=O

Functional groups:
CO, 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: 2.365

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Chemical structure download