6-aminopenicillanate (CHEBI:30938)

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ChEBI Name	6-aminopenicillanate

ChEBI ID	CHEBI:30938

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:20704, CHEBI:12207

Supplier Information

Download	Molfile XML SDF

Formula

C8H11N2O3S

Net Charge

-1

Average Mass

215.25062

Monoisotopic Mass

215.04959

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)/p-1/t3-,4+,6-/m1/s1

InChIKey

NGHVIOIJCVXTGV-ALEPSDHESA-M

SMILES

[H][C@@]1(N)C(=O)N2[C@]1([H])SC(C)(C)[C@]2([H])C([O-])=O

Roles Classification
Biological Role(s):	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. (via heterocyclic antibiotic )

ChEBI Ontology
Outgoing	6-aminopenicillanate (CHEBI:30938) is a penicillinate anion (CHEBI:51356) 6-aminopenicillanate (CHEBI:30938) is conjugate acid of 6-aminopenicillanic acid (CHEBI:16705) 6-aminopenicillanate (CHEBI:30938) is conjugate base of 6-aminopenicillanic acid zwitterion (CHEBI:57869)

Incoming	6-aminopenicillanic acid zwitterion (CHEBI:57869) is conjugate acid of 6-aminopenicillanate (CHEBI:30938) 6-aminopenicillanic acid (CHEBI:16705) is conjugate base 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

Registry Number	Type	Source
604420	Gmelin Registry Number	Gmelin

Last Modified

25 October 2010