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CHEBI:30938 - 6-aminopenicillanate

ChEBI IDCHEBI:30938
ChEBI Name6-aminopenicillanate
Stars
Secondary ChEBI IDsCHEBI:12207, CHEBI:20704
Last Modified25 October 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H11N2O3S
Net Charge-1
Average Mass215.254
Monoisotopic Mass215.04959
SMILES[H][C@]12SC(C)(C)[C@]([H])(C(=O)[O-])N1C(=O)[C@@]2([H])N
InChIInChI=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)/p-1/t3-,4+,6-/m1/s1
InChIKeyNGHVIOIJCVXTGV-ALEPSDHESA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
6-aminopenicillanate (CHEBI:30938) is a penicillinate anion (CHEBI:51356)
6-aminopenicillanate (CHEBI:30938) is conjugate base of 6-aminopenicillanic acid (CHEBI:16705)
6-aminopenicillanate (CHEBI:30938) is conjugate base of 6-aminopenicillanic acid zwitterion (CHEBI:57869)
Incoming Relation(s)
6-aminopenicillanic acid (CHEBI:16705) is conjugate acid of 6-aminopenicillanate (CHEBI:30938)
6-aminopenicillanic acid zwitterion (CHEBI:57869) is conjugate acid of 6-aminopenicillanate (CHEBI:30938)
IUPAC Name 
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Manual XrefsDatabases
C02954KEGG COMPOUND
Registry NumbersSources
Gmelin:604420Gmelin