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CHEBI:58501 - 7β-aminocephalosporanic acid zwitterion

ChEBI IDCHEBI:58501
ChEBI Name7β-aminocephalosporanic acid zwitterion
Stars
ASCII Name7beta-aminocephalosporanic acid zwitterion
DefinitionZwitterionic form of 7β-aminocephalosporanic acid.
Last Modified29 February 2012
DownloadsMolfile
FormulaC10H12N2O5S
Net Charge0
Average Mass272.282
Monoisotopic Mass272.04669
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2[NH3+]
InChIInChI=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
InChIKeyHSHGZXNAXBPPDL-HZGVNTEJSA-N
ChEBI Ontology
Outgoing Relation(s)
7β-aminocephalosporanic acid zwitterion (CHEBI:58501) is a amino-acid zwitterion (CHEBI:35238)
7β-aminocephalosporanic acid zwitterion (CHEBI:58501) is tautomer of 7β-aminocephalosporanic acid (CHEBI:2255)
Incoming Relation(s)
7β-aminocephalosporanic acid (CHEBI:2255) is tautomer of 7β-aminocephalosporanic acid zwitterion (CHEBI:58501)
IUPAC Name 
(6R)-3-(acetoxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
UniProt Name  Source
(7R)-7-aminocephalosporanateUniProt