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CHEBI:57536 - (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−)

ChEBI IDCHEBI:57536
ChEBI Name(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−)
Stars
ASCII Name(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2-)
DefinitionDicarboxylate anion of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate acid.
Last Modified18 February 2015
DownloadsMolfile
FormulaC16H16N2O9S
Net Charge-2
Average Mass412.376
Monoisotopic Mass412.05875
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)CCCC(=O)C(=O)[O-]
InChIInChI=1S/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)/p-2/t11-,14-/m1/s1
InChIKeyUKRMDFPJXIVYCZ-BXUZGUMPSA-L
ChEBI Ontology
Outgoing Relation(s)
(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−) (CHEBI:57536) is a cephalosporin carboxylic acid anion (CHEBI:52440)
(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−) (CHEBI:57536) is a dicarboxylic acid dianion (CHEBI:28965)
(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−) (CHEBI:57536) is conjugate base of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (CHEBI:15838)
Incoming Relation(s)
(7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid (CHEBI:15838) is conjugate acid of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate(2−) (CHEBI:57536)
IUPAC Name 
(6R,7R)-3-(acetoxymethyl)-7-[(5-carboxylato-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonym  Source
(7R)-7-(5-carboxylato-5-oxopentanamido)cephalosporanate dianionChEBI
UniProt Name  Source
(7R)-7-(5-carboxy-5-oxopentanamido)deacetylcephalosporanateUniProt