CHEBI:30938 - 6-aminopenicillanate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 ChemicalBook:CB4385569, eMolecules:475176
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Xref Database
C02954 KEGG COMPOUND
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Registry Number Type Source
604420 Gmelin Registry Number Gmelin
Last Modified
25 October 2010