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CHEBI:2286 - 7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C

ChEBI IDCHEBI:2286
ChEBI Name7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H20N4O9S
Net Charge0
Average Mass432.411
Monoisotopic Mass432.09510
SMILES[H][C@]12SCC(COC(N)=O)=C(C(=O)O)N1C(=O)[C@@]2(O)NC(=O)CCC[C@@H](N)C(=O)O
InChIInChI=1S/C15H20N4O9S/c16-7(10(21)22)2-1-3-8(20)18-15(27)12(25)19-9(11(23)24)6(4-28-14(17)26)5-29-13(15)19/h7,13,27H,1-5,16H2,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/t7-,13-,15+/m1/s1
InChIKeyJMCGENBWRIPSAH-LNSLMCEBSA-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)
7a-Hydroxy-o-carbamoyl-deacetylcephalosporin C (CHEBI:2286) is a peptide (CHEBI:16670)
Synonym  Source
7a-Hydroxy-o-carbamoyl-deacetylcephalosporin CKEGG COMPOUND
Manual XrefsDatabases
C06569KEGG COMPOUND