EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:55492 - carumonam(1−)

ChEBI IDCHEBI:55492
ChEBI Namecarumonam(1−)
Stars
ASCII Namecarumonam(1-)
DefinitionThe monocarboxylic acid anion formed by deprotonating carumonam at the carboxyl proton.
Last Modified24 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC12H13N6O10S2
Net Charge-1
Average Mass465.402
Monoisotopic Mass465.01401
SMILESNC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)O
InChIInChI=1S/C12H14N6O10S2/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)/p-1/b17-7-/t5-,8+/m1/s1
InChIKeyUIMOJFJSJSIGLV-JNHMLNOCSA-M
ChEBI Ontology
Outgoing Relation(s)
carumonam(1−) (CHEBI:55492) is a monocarboxylic acid anion (CHEBI:35757)
carumonam(1−) (CHEBI:55492) is conjugate base of carumonam (CHEBI:55486)
Incoming Relation(s)
carumonam sodium (CHEBI:31363) has part carumonam(1−) (CHEBI:55492)
carumonam (CHEBI:55486) is conjugate acid of carumonam(1−) (CHEBI:55492)
IUPAC Name 
({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfoazetidin-3-yl}amino)-2-oxoethylidene]amino}oxy)acetate
Synonym  Source
carumonam anionChEBI