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CHEBI:7678 - O-Carbamoyl-deacetylcephalosporin C

ChEBI IDCHEBI:7678
ChEBI NameO-Carbamoyl-deacetylcephalosporin C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20N4O8S
Net Charge0
Average Mass416.412
Monoisotopic Mass416.10018
SMILES[H][C@]12SCC(COC(N)=O)=C(C(=O)O)N1C(=O)[C@@]2([H])NC(=O)CCC[C@@H](N)C(=O)O
InChIInChI=1S/C15H20N4O8S/c16-7(13(22)23)2-1-3-8(20)18-9-11(21)19-10(14(24)25)6(4-27-15(17)26)5-28-12(9)19/h7,9,12H,1-5,16H2,(H2,17,26)(H,18,20)(H,22,23)(H,24,25)/t7-,9-,12-/m1/s1
InChIKeyLSRDVUINCBDNAZ-JWKOBGCHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
O-Carbamoyl-deacetylcephalosporin C (CHEBI:7678) is a peptide (CHEBI:16670)
Synonym  Source
O-Carbamoyl-deacetylcephalosporin CKEGG COMPOUND
Manual XrefsDatabases
C06568KEGG COMPOUND