Summary

IMPPAT Phytochemical identifier: IMPHY015534

Phytochemical name: Butyric anhydride

Synonymous chemical names:
butyric anhydride

External chemical identifiers:
CID:7798, ChEMBL:CHEMBL1566369, ZINC:ZINC000008585875, FDASRS:A88LE742VX, SureChEMBL:SCHEMBL8158, MolPort-000-872-011

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Chemical structure information

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

InChI:
InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3

InChIKey:
YHASWHZGWUONAO-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OC=O)CCC

Functional groups:
CC(=O)OC(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: Dicarboxylic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.381

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Chemical structure download