CHEBI:64984 - 7β-aminodeacetoxycephalosporanic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7β-aminodeacetoxycephalosporanic acid
ChEBI ID CHEBI:64984
ChEBI ASCII Name 7beta-aminodeacetoxycephalosporanic acid
Definition A cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7β-amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H10N2O3S
Net Charge 0
Average Mass 214.24200
Monoisotopic Mass 214.04121
InChI InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)/t4-,7-/m1/s1
InChIKey NVIAYEIXYQCDAN-CLZZGJSISA-N
SMILES [H][C@]12SCC(C)=C(N1C(=O)[C@H]2N)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7β-aminodeacetoxycephalosporanic acid (CHEBI:64984) has functional parent cephalosporanic acid (CHEBI:23064)
7β-aminodeacetoxycephalosporanic acid (CHEBI:64984) is a cephalosporin (CHEBI:23066)
7β-aminodeacetoxycephalosporanic acid (CHEBI:64984) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Synonyms Sources
3-methyl-7-amino-Δ3-cephem-4-carboxylic acid ChEBI
3-methyl-7-aminoceph-3-em-4-carboxylic acid ChEBI
3-methyl-7β-amino-Δ3-cephem-4-carboxylic acid ChEBI
3-methyl-7β-aminoceph-3-em-4-carboxylic acid ChEBI
7-ADCA ChEBI
7-amino-3-methyl-3-cephem-4-carboxylic acid ChEBI
7-amino-3-methyl-Δ3-cephem-4-carboxylic acid ChEBI
7-amino-3-methylceph-3-em-4-carboxylic acid ChEBI
7-aminodeacetoxycephalosporanic acid ChEBI
7-Aminodesacetoxycephalosporanic acid ChemIDplus
7β-amino-3-methyl-3-cephem-4-carboxylic acid ChEBI
7β-amino-3-methyl-Δ3-cephem-4-carboxylic acid ChEBI
7β-amino-3-methylceph-3-em-4-carboxylic acid ChEBI
7β-aminodeacetoxycephalosporanic acid ChEBI
Registry Numbers Types Sources
1078249 Reaxys Registry Number Reaxys
22252-43-3 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22371438 PubMed citation Europe PMC
Last Modified
20 June 2012