EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31363 - carumonam sodium

ChEBI IDCHEBI:31363
ChEBI Namecarumonam sodium
Stars
DefinitionThe disodium salt of carumonam.
Last Modified31 March 2010
DownloadsMolfile
FormulaC12H12N6O10S2.2Na
Net Charge0
Average Mass510.374
Monoisotopic Mass509.98517
SMILESNC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1
InChIKeyBGGXRVPCJUKHTQ-AHCAJXDVSA-L
ChEBI Ontology
Outgoing Relation(s)
carumonam sodium (CHEBI:31363) has part carumonam(1−) (CHEBI:55492)
carumonam sodium (CHEBI:31363) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium ({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfonatoazetidin-3-yl}amino)-2-oxoethylidene]amino}oxy)acetate
Synonyms  Source
Carumonam sodiumKEGG COMPOUND
Carumonam disodium saltChemIDplus
Manual XrefsDatabases
C13016KEGG COMPOUND
D01560KEGG DRUG
Registry NumbersSources
CAS:86832-68-0KEGG COMPOUND
CAS:86832-68-0ChemIDplus