CHEBI:31161 - Aceglutamide aluminum

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aceglutamide aluminum
ChEBI ID CHEBI:31161
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 5C7H11N2O4.Al3O4
C35H59Al3N10O24
Net Charge 0
Average Mass 1084.842
Monoisotopic Mass 1084.31498
InChI InChI=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
InChIKey IVVHAAOJLULJLK-YDXSIYMFSA-E
SMILES NC(CC[C@@H](C(=O)[O-])NC(C)=O)=O.[Al+3].[Al+3].[Al+3].[OH-].[OH-].[OH-].[OH-].NC(CC[C@@H](C(=O)[O-])NC(C)=O)=O.NC(CC[C@@H](C(=O)[O-])NC(C)=O)=O.NC(CC[C@@H](C(=O)[O-])NC(C)=O)=O.NC(CC[C@@H](C(=O)[O-])NC(C)=O)=O
ChEBI Ontology
Outgoing Aceglutamide aluminum (CHEBI:31161) is a glutamine derivative (CHEBI:70813)
Synonym Source
Aceglutamide aluminum KEGG COMPOUND
Manual Xref Database
D01660 KEGG DRUG
View more database links
Registry Number Type Source
12607-92-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017