CHEBI:2255 - 7β-aminocephalosporanic acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name 7β-aminocephalosporanic acid
ChEBI ID CHEBI:2255
ChEBI ASCII Name 7beta-aminocephalosporanic acid
Definition The α,β-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and intermediates.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H12N2O5S
Net Charge 0
Average Mass 272.27800
InChI InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1
InChIKey HSHGZXNAXBPPDL-HZGVNTEJSA-N
SMILES [H][C@]12SCC(COC(C)=O)=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7β-aminocephalosporanic acid (CHEBI:2255) has functional parent cephalosporanic acid (CHEBI:23064)
7β-aminocephalosporanic acid (CHEBI:2255) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
7β-aminocephalosporanic acid (CHEBI:2255) is tautomer of 7β-aminocephalosporanic acid zwitterion (CHEBI:58501)
Incoming 7β-aminocephalosporanic acid zwitterion (CHEBI:58501) is tautomer of 7β-aminocephalosporanic acid (CHEBI:2255)
IUPAC Names
(6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-acetoxymethyl-7β-amino-3,4-didehydrocepham-4-carboxylic acid
Synonyms Sources
(7R)-7-Aminocephalosporanate KEGG COMPOUND
7-ACA KEGG COMPOUND
7-Aminocephalosporanic acid KEGG COMPOUND
7-Aminocephalosporinic acid KEGG COMPOUND
Database Link Database
C07756 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
622638 Reaxys Registry Number Reaxys
8919572 Beilstein Registry Number Beilstein
957-68-6 CAS Registry Number KEGG COMPOUND
957-68-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
1384868 PubMed citation CiteXplore
Last Modified
24 November 2014