CHEBI:31380 - Cefsulodin sodium

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ChEBI Name Cefsulodin sodium
ChEBI ID CHEBI:31380
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H19N4O8S2.Na
Net Charge 0
Average Mass 554.531
Monoisotopic Mass 554.05420
InChI InChI=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
InChIKey REACMANCWHKJSM-DWBVFMGKSA-M
SMILES [Na+].NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c2ccccc2)S([O-])(=O)=O)C3=O)C([O-])=O)cc1
ChEBI Ontology
Outgoing Cefsulodin sodium (CHEBI:31380) is a organic molecular entity (CHEBI:50860)
Synonym Source
Cefsulodin sodium KEGG COMPOUND
Manual Xrefs Databases
C13505 KEGG COMPOUND
D02005 KEGG DRUG
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Registry Number Type Source
52152-93-9 CAS Registry Number KEGG COMPOUND
Last Modified
08 January 2016