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CHEBI:53669 - cefadroxil(1−)

ChEBI IDCHEBI:53669
ChEBI Namecefadroxil(1−)
Stars
ASCII Namecefadroxil(1-)
DefinitionA cephalosporin carboxylic acid anion having a 7β-[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino side-chain, formed by proton loss from the carboxy group of the cephalosporin cefadroxil.
Last Modified27 May 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H16N3O5S
Net Charge-1
Average Mass362.387
Monoisotopic Mass362.08162
SMILES[H][C@]12SCC(C)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1
InChIInChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/p-1/t10-,11-,15-/m1/s1
InChIKeyBOEGTKLJZSQCCD-UEKVPHQBSA-M
ChEBI Ontology
Outgoing Relation(s)
cefadroxil(1−) (CHEBI:53669) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cefadroxil(1−) (CHEBI:53669) is conjugate base of cefadroxil (CHEBI:3479)
Incoming Relation(s)
cefadroxil (CHEBI:3479) is conjugate acid of cefadroxil(1−) (CHEBI:53669)
IUPAC Name 
7β-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,4-didehydrocepham-4-carboxylate
Synonym  Source
(6R,7R)-7-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC