CHEBI:32170 - sultamicillin tosylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sultamicillin tosylate
ChEBI ID CHEBI:32170
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C25H30N4O9S2.C7H8O3S
C32H38N4O12S3
Net Charge 0
Average Mass 766.85900
Monoisotopic Mass 766.16484
InChI InChI=1S/C25H30N4O9S2.C7H8O3S/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18;1-6-2-4-7(5-3-6)11(8,9)10/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31);2-5H,1H3,(H,8,9,10)/t14-,15-,16-,17+,18+,21-;/m1./s1
InChIKey FFCSPKNZHGIDQM-CGAOXQFVSA-N
SMILES [H+].Cc1ccc(cc1)S([O-])(=O)=O.[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@@]2([H])S(=O)(=O)C1(C)C
ChEBI Ontology
Outgoing sultamicillin tosylate (CHEBI:32170) has part sultamicillin (CHEBI:51770)
sultamicillin tosylate (CHEBI:32170) is a organosulfonate salt (CHEBI:64382)
Synonyms Sources
Sultamicillin tosilate KEGG COMPOUND
Sultamicillin tosylate KEGG COMPOUND
Manual Xref Database
C13129 KEGG COMPOUND
View more database links
Registry Number Type Source
83105-70-8 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2014