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7β-aminocephalosporanic acid (CHEBI:2255)

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ChEBI Name 7β-aminocephalosporanic acid
ChEBI ID CHEBI:2255
ChEBI ASCII Name 7beta-aminocephalosporanic acid
Definition 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 Source
C10H12N2O5S KEGG COMPOUND
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 on the ChEBI Ontology
ChEBI Ontology
Outgoing 7β-aminocephalosporanic acid (CHEBI:2255) has functional parent cephalosporanic acid (CHEBI:23064)
7β-aminocephalosporanic acid (CHEBI:2255) is a monocarboxylic acid (CHEBI:25384)
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
7-ACA KEGG COMPOUND
7-Aminocephalosporanic acid KEGG COMPOUND
7-Aminocephalosporinic acid KEGG COMPOUND
Database Link Database
C07756 KEGG COMPOUND
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Registry Numbers Types Sources
8919572 Beilstein Registry Number Beilstein
957-68-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
1384868 PubMed citation CiteXplore
Last Modified
30 September 2013

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