Summary

IMPPAT Phytochemical identifier: IMPHY000114

Phytochemical name: Methyl 5-hydroxy-4-oxopentanoate

Synonymous chemical names:
methyl 5-hydroxy-4-oxopentanoate

External chemical identifiers:
CID:10464455, SureChEMBL:SCHEMBL1689977, MolPort-047-113-490

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Chemical structure information

SMILES:
OCC(=O)CCC(=O)OC

InChI:
InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3

InChIKey:
RKMQRPYLPSKVNS-UHFFFAOYSA-N

DeepSMILES:
OCC=O)CCC=O)OC

Functional groups:
CC(C)=O, CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Keto acids and derivatives

ClassyFire Subclass: Gamma-keto acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP-Likeness score: 1.031

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Chemical structure download