CHEBI:133944 - sodium amoxicilloate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sodium amoxicilloate
ChEBI ID CHEBI:133944
Definition An organic sodium salt that is the monosodium salt of amoxicilloic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H20N3NaO6S
Net Charge 0
Average Mass 405.403
Monoisotopic Mass 405.09705
InChI InChI=1S/C16H21N3O6S.Na/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);/q;+1/p-1/t9-,10+,11+,13-;/m1./s1
InChIKey OWFQIGGKWCUTRP-ODFUGKNXSA-M
SMILES N1[C@H](C(S[C@]1([H])[C@H](NC([C@@H](C2=CC=C(C=C2)O)N)=O)C(=O)O)(C)C)C([O-])=O.[Na+]
ChEBI Ontology
Outgoing sodium amoxicilloate (CHEBI:133944) has part amoxicilloate (CHEBI:133943)
sodium amoxicilloate (CHEBI:133944) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium (2R,4S)-2-[(R)-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
Synonym Source
amoxicilloic acid sodium salt ChEBI
Citation Waiting for Citations Type Source
27731424 PubMed citation Europe PMC
Last Modified
14 November 2016