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CHEBI:59004 - 6-formamidopenicillanic acid

ChEBI IDCHEBI:59004
ChEBI Name6-formamidopenicillanic acid
Stars
DefinitionA penicillanic acid having a (6R)-formamido substituent.
Last Modified21 December 2015
SubmitterSteve
DownloadsMolfile
FormulaC9H12N2O4S
Net Charge0
Average Mass244.272
Monoisotopic Mass244.05178
SMILES[H]C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@]12[H]
InChIInChI=1S/C9H12N2O4S/c1-9(2)5(8(14)15)11-6(13)4(10-3-12)7(11)16-9/h3-5,7H,1-2H3,(H,10,12)(H,14,15)/t4-,5+,7-/m1/s1
InChIKeyMDQGTDMBVJCTBN-JCGDXUMPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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-formamidopenicillanic acid (CHEBI:59004) has functional parent 6-aminopenicillanic acid (CHEBI:16705)
6-formamidopenicillanic acid (CHEBI:59004) is a penicillanic acids (CHEBI:25865)
6-formamidopenicillanic acid (CHEBI:59004) is conjugate acid of 6-formamidopenicillanate (CHEBI:59005)
Incoming Relation(s)
6-formamidopenicilloyl group (CHEBI:55480) has functional parent 6-formamidopenicillanic acid (CHEBI:59004)
6-formamidopenicillanate (CHEBI:59005) is conjugate base of 6-formamidopenicillanic acid (CHEBI:59004)
IUPAC Name 
6-formamido-2,2-dimethylpenam-3α-carboxylic acid
Synonyms  Source
(2S,5R,6R)-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidIUPAC
6β-formylaminopenicillanic acidChEBI
6-formamido-2,2-dimethylpenam-3α-carboxylic acidChemIDplus
Registry NumbersSources
Reaxys:1218301Reaxys
CAS:64527-04-4ChemIDplus
Citations