Summary

IMPPAT Phytochemical identifier: IMPHY007230

Phytochemical name: Butyl glyoxylate

Synonymous chemical names:
butyl glyoxylate

External chemical identifiers:
CID:80521, ZINC:ZINC000001718582, FDASRS:AH46A7531R, SureChEMBL:SCHEMBL195396, MolPort-001-781-770

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Chemical structure information

SMILES:
CCCCOC(=O)C=O

InChI:
InChI=1S/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3

InChIKey:
NRYDRJHYTRBBEA-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)C=O

Functional groups:
COC(=O)C=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.512

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Chemical structure download