input word = C00019627

Metabolite InformationStructural formula
Name Thiamin diphosphate
Thiamine diphosphate
Thiamin pyrophosphate
TPP
ThPP
Formula C12H19N4O7P2S1+
Mw 425.0449677
CAS RN 154-87-0
C_ID C00019627 ,
InChIKey AYEKOFBPNLCAJY-UHFFFAOYNA-O
InChICode InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
SMILES Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys L-Phe
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
--FOOD SAKE Ref.
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OrganismFOOD SAKE
ReferenceIwashita,National Research Institute of Brewing (unpublished)