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CHEBI:133943 - amoxicilloate

ChEBI IDCHEBI:133943
ChEBI Nameamoxicilloate
Stars
DefinitionA thiazolidinemonocarboxylate anion resulting from proton loss from the carboxy group located on the β-lactam ring of amoxicilloic acid.
Last Modified14 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H20N3O6S
Net Charge-1
Average Mass382.418
Monoisotopic Mass382.10783
SMILES[H][C@@]1([C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C(=O)O)N[C@@H](C(=O)[O-])C(C)(C)S1
InChIInChI=1S/C16H21N3O6S/c1-16(2)11(15(24)25)19-13(26-16)10(14(22)23)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,13,19-20H,17H2,1-2H3,(H,18,21)(H,22,23)(H,24,25)/p-1/t9-,10+,11+,13-/m1/s1
InChIKeyLHHKJQFIKHAUIA-MPPDQPJWSA-M
ChEBI Ontology
Outgoing Relation(s)
amoxicilloate (CHEBI:133943) is a thiazolidinemonocarboxylate (CHEBI:133946)
amoxicilloate (CHEBI:133943) is conjugate base of amoxicilloic acid (CHEBI:60912)
Incoming Relation(s)
sodium amoxicilloate (CHEBI:133944) has part amoxicilloate (CHEBI:133943)
amoxicilloic acid (CHEBI:60912) is conjugate acid of amoxicilloate (CHEBI:133943)
IUPAC Name 
(2R,4S)-2-[(R)-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Synonym  Source
amoxicilloate(1−)ChEBI