CHEBI:53669 - cefadroxil(1−)

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ChEBI Name cefadroxil(1−)
ChEBI ID CHEBI:53669
ChEBI ASCII Name cefadroxil(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H16N3O5S
Net Charge -1
Average Mass 362.38000
Monoisotopic Mass 362.08162
InChI InChI=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
InChIKey BOEGTKLJZSQCCD-UEKVPHQBSA-M
SMILES [H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccc(O)cc1)C([O-])=O
ChEBI Ontology
Outgoing cefadroxil(1−) (CHEBI:53669) is a cephalosporin carboxylic acid anion (CHEBI:52440)
cefadroxil(1−) (CHEBI:53669) is conjugate base of cefadroxil (CHEBI:3479)
Incoming 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-carboxylate IUPAC
Last Modified
27 May 2014