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CHEBI:81715 - Thiamine disulfide

ChEBI IDCHEBI:81715
ChEBI NameThiamine disulfide
Stars
Last Modified1 March 2017
DownloadsMolfile
FormulaC24H34N8O4S2
Net Charge0
Average Mass562.722
Monoisotopic Mass562.21444
SMILESC/C(=C(/CCO)SS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N
InChIInChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15+,22-16+
InChIKeyGFEGEDUIIYDMOX-YHARCJFQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Thiamine disulfide (CHEBI:81715) is a aminopyrimidine (CHEBI:38338)
Thiamine disulfide (CHEBI:81715) is a formamides (CHEBI:24079)
Thiamine disulfide (CHEBI:81715) is a homoallylic alcohol (CHEBI:134362)
Thiamine disulfide (CHEBI:81715) is a organic disulfide (CHEBI:35489)
Manual XrefsDatabases
C18377KEGG COMPOUND
D03299KEGG DRUG