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CHEBI:31380 - Cefsulodin sodium

Default Structure
ChEBI IDCHEBI:31380
ChEBI NameCefsulodin sodium
Stars
Last Modified8 January 2016
DownloadsMolfile
FormulaC22H19N4O8S2.Na
Net Charge0
Average Mass554.538
Monoisotopic Mass554.05420
SMILES[H][C@]12SCC(C[n+]3ccc(C(N)=O)cc3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@@H](c1ccccc1)S(=O)(=O)[O-].[Na+]
InChIInChI=1S/C22H20N4O8S2.Na/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12;/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34);/q;+1/p-1/t15-,17-,21-;/m1./s1
InChIKeyREACMANCWHKJSM-DWBVFMGKSA-M
ChEBI Ontology
Outgoing Relation(s)
Cefsulodin sodium (CHEBI:31380) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Cefsulodin sodiumKEGG COMPOUND
Manual XrefsDatabases
C13505KEGG COMPOUND
D02005KEGG DRUG
Registry NumbersSources
CAS:52152-93-9KEGG COMPOUND