loading...| Preferred Name |
cephalosporin C |
| Synonyms |
(6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cephalosporin C 7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid |
| Definitions |
A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_15776 |
| charge |
0 |
| database_cross_reference |
PDBeChem:CSC MetaCyc:CSC PMID:13315229 PMID:18279889 PMID:23334835 PMID:19787461 PMID:20171092 CAS:61-24-5 PMID:23828600 KEGG:C00916 PMID:20391764 PMID:23053347 Beilstein:65348 Reaxys:65348 Wikipedia:Cephalosporin_C DrugBank:DB03313 PMID:14370161 PMID:9131470 HMDB:HMDB0060450 PMID:2083978 PMID:21866341 PMID:21219942 PMID:22068491 |
| definition |
A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. |
| formula |
C16H21N3O8S |
| has functional parent | |
| has role | |
| has_alternative_id |
CHEBI:3539 CHEBI:23065 CHEBI:13953 |
| has_exact_synonym |
(6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Cephalosporin C |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid |
| id |
CHEBI:15776 |
| in_subset | |
| inchi |
InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1 |
| inchikey |
HOKIDJSKDBPKTQ-GLXFQSAKSA-N |
| is conjugate acid of | |
| label |
cephalosporin C |
| mass |
415.41800 |
| monoisotopicmass |
415.10494 |
| notation |
CHEBI:15776 |
| prefLabel |
cephalosporin C |
| smiles |
[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(O)=O)C(O)=O |
| treeView | |
| subClassOf |