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CHEBI:58693 - (7R)-7-(4-carboxylatobutanamido)cephalosporanate

ChEBI IDCHEBI:58693
ChEBI Name(7R)-7-(4-carboxylatobutanamido)cephalosporanate
Stars
ASCII Name(7R)-7-(4-carboxylatobutanamido)cephalosporanate
DefinitionDicarboxylate anion of (7R)-7-(4-carboxybutanamido)cephalosporanic acid.
Last Modified18 February 2015
DownloadsMolfile
FormulaC15H16N2O8S
Net Charge-2
Average Mass384.366
Monoisotopic Mass384.06383
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)CCCC(=O)[O-]
InChIInChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/p-2/t11-,14-/m1/s1
InChIKeyIXUSDMGLUJZNFO-BXUZGUMPSA-L
ChEBI Ontology
Outgoing Relation(s)
(7R)-7-(4-carboxylatobutanamido)cephalosporanate (CHEBI:58693) is a cephalosporin carboxylic acid anion (CHEBI:52440)
(7R)-7-(4-carboxylatobutanamido)cephalosporanate (CHEBI:58693) is a dicarboxylic acid dianion (CHEBI:28965)
(7R)-7-(4-carboxylatobutanamido)cephalosporanate (CHEBI:58693) is conjugate base of (7R)-7-(4-carboxybutanamido)cephalosporanic acid (CHEBI:41425)
Incoming Relation(s)
(7R)-7-(4-carboxybutanamido)cephalosporanic acid (CHEBI:41425) is conjugate acid of (7R)-7-(4-carboxylatobutanamido)cephalosporanate (CHEBI:58693)
IUPAC Name 
(6R,7R)-3-[(acetyloxy)methyl]-7-(4-carboxylatobutanamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
UniProt Name  Source
(7R)-7-(4-carboxybutanamido)cephalosporanateUniProt
Registry NumbersSources
Beilstein:6831373Beilstein