CHEBI:57869 - 6-aminopenicillanic acid zwitterion

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ChEBI Name 6-aminopenicillanic acid zwitterion ChEBI ID CHEBI:57869 Definition Zwitterionic form of 6-aminopenicillanic acid arising from migration of a proton from the carboxy group to the 6-amino group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H12N2O3S Net Charge 0 Average Mass 216.25700 Monoisotopic Mass 216.05686 InChI InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1 InChIKey NGHVIOIJCVXTGV-ALEPSDHESA-N SMILES [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2[NH3+])C([O-])=O ChEBI Ontology Outgoing 6-aminopenicillanic acid zwitterion (CHEBI:57869) is a amino acid zwitterion (CHEBI:35238) 6-aminopenicillanic acid zwitterion (CHEBI:57869) is conjugate acid of 6-aminopenicillanate (CHEBI:30938) 6-aminopenicillanic acid zwitterion (CHEBI:57869) is tautomer of 6-aminopenicillanic acid (CHEBI:16705) Incoming 6-aminopenicillanate (CHEBI:30938) is conjugate base of 6-aminopenicillanic acid zwitterion (CHEBI:57869) 6-aminopenicillanic acid (CHEBI:16705) is tautomer of 6-aminopenicillanic acid zwitterion (CHEBI:57869) IUPAC Name 6-azaniumyl-2,2-dimethylpenam-3α-carboxylate Synonyms Sources (2S,5R,6R)-6-azaniumyl-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate ChEBI 6-aminopenicillanate UniProt Last Modified 22 July 2015