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CHEBI:31161 - Aceglutamide aluminum

ChEBI IDCHEBI:31161
ChEBI NameAceglutamide aluminum
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula3Al.5C7H11N2O4.4HO
Net Charge0
Average Mass1084.849
Monoisotopic Mass1084.31498
SMILESCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-].CC(=O)N[C@@H](CCC(N)=O)C(=O)[O-].CC(=O)N[C@@H](CCC(N)=O)C(=O)[O-].CC(=O)N[C@@H](CCC(N)=O)C(=O)[O-].CC(=O)N[C@@H](CCC(N)=O)C(=O)[O-].[Al+3].[Al+3].[Al+3].[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/5C7H12N2O4.3Al.4H2O/c5*1-4(10)9-5(7(12)13)2-3-6(8)11;;;;;;;/h5*5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13);;;;4*1H2/q;;;;;3*+3;;;;/p-9/t5*5-;;;;;;;/m00000......./s1
InChIKeyIVVHAAOJLULJLK-YDXSIYMFSA-E
ChEBI Ontology
Outgoing Relation(s)
Aceglutamide aluminum (CHEBI:31161) is a glutamine derivative (CHEBI:70813)
Synonym  Source
Aceglutamide aluminumKEGG COMPOUND
Manual XrefsDatabases
D01660KEGG DRUG
Registry NumbersSources
CAS:12607-92-0KEGG COMPOUND