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CHEBI:53676 - ceftazidime(1−)

ChEBI IDCHEBI:53676
ChEBI Nameceftazidime(1−)
Stars
ASCII Nameceftazidime(1-)
DefinitionA cephalosporin carboxylic acid anion formed by proton loss from the carboxy group of ceftazidime, a cephalosporin having 7β-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side-groups.
Last Modified27 May 2014
SubmitterSteve
DownloadsMolfile
FormulaC22H21N6O7S2
Net Charge-1
Average Mass545.579
Monoisotopic Mass545.09186
SMILES[H][C@]12SCC(C[n+]3ccccc3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c1csc(N)n1
InChIInChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/p-1/b26-13-/t14-,18-/m1/s1
InChIKeyORFOPKXBNMVMKC-DWVKKRMSSA-M
ChEBI Ontology
Outgoing Relation(s)
ceftazidime(1−) (CHEBI:53676) is a cephalosporin carboxylic acid anion (CHEBI:52440)
ceftazidime(1−) (CHEBI:53676) is conjugate base of ceftazidime (CHEBI:3508)
Incoming Relation(s)
ceftazidime (CHEBI:3508) is conjugate acid of ceftazidime(1−) (CHEBI:53676)
IUPAC Name 
7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxylatopropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate
Synonym  Source
(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxylatopropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC
Registry NumbersSources
Gmelin:1795652Gmelin
Reaxys:6630563Reaxys