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Bisbutytiamine (JAN)

PropertiesImageOccurences in reactions
MNX_IDMNXM44404Image of MNXM44404
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC32H46N8O6S2
charge0
mass702.29817
referencekeggD:D09828
InChIKeyYMEBNAABDXLAJE-ZDSKVHJSSA-N
InChIInChI=1S/C32H46N8O6S2/c1-7-9-29(43)45-13-11-27(21(3)39(19-41)17-25-15-35-23(5)37-31(25)33)47-48-28(12-14-46-30(44)10-8-2)22(4)40(20-42)18-26-16-36-24(6)38-32(26)34/h15-16,19-20H,7-14,17-18H2,1-6H3,(H2,33,35,37)(H2,34,36,38)/b27-21-,28-22-
SMILESCCCC(=O)OCC/C(SS/C(CCOC(=O)CCC)=C(/C)N(C=O)Cc1cnc(C)nc1N)=C(\C)N(C=O)Cc1cnc(C)nc1N
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
kegg.drug:D09828
keggD:D09828
Bisbutytiamine (JAN)
keggD:M_D09828 secondary/obsolete/fantasy identifier