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CHEBI:3492 - cefonicid sodium

ChEBI IDCHEBI:3492
ChEBI Namecefonicid sodium
Stars
Last Modified15 May 2009
DownloadsMolfile
FormulaC18H16N6O8S3.2Na
Net Charge0
Average Mass586.541
Monoisotopic Mass585.99871
SMILES[H][C@]12SCC(CSc3nnnn3CS(=O)(=O)[O-])=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1.[Na+].[Na+]
InChIInChI=1S/C18H18N6O8S3.2Na/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32;;/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32);;/q;2*+1/p-2/t11-,13-,16-;;/m1../s1
InChIKeyNAXFZVGOZUWLEP-RFXDPDBWSA-L
ChEBI Ontology
Outgoing Relation(s)
cefonicid sodium (CHEBI:3492) has part cefonicid(2−) (CHEBI:52441)
cefonicid sodium (CHEBI:3492) is a organic sodium salt (CHEBI:38700)
Synonyms  Source
Cefonicid sodiumKEGG COMPOUND
cefonicid disodiumChEBI
Manual XrefsDatabases
C08105KEGG COMPOUND
D00912KEGG DRUG
Registry NumbersSources
CAS:61270-78-8KEGG COMPOUND
CAS:61270-78-8ChemIDplus