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CHEBI:32317 - alpha,beta-Dihydroxyethyl-TPP

ChEBI IDCHEBI:32317
ChEBI Namealpha,beta-Dihydroxyethyl-TPP
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H22N4O9P2S
Net Charge0
Average Mass484.364
Monoisotopic Mass484.05827
SMILESCc1ncc(C[n+]2c([C-](O)CO)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChIInChI=1S/C14H22N4O9P2S/c1-8-12(3-4-26-29(24,25)27-28(21,22)23)30-14(11(20)7-19)18(8)6-10-5-16-9(2)17-13(10)15/h5,19-20H,3-4,6-7H2,1-2H3,(H,24,25)(H2,15,16,17)(H2,21,22,23)
InChIKeyLXZUEFPJZTWGEL-UHFFFAOYSA-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)
alpha,beta-Dihydroxyethyl-TPP (CHEBI:32317) is a thiamine phosphate (CHEBI:26945)
Synonyms  Source
2-(1,2-Dihydroxyethyl)-TPPKEGG COMPOUND
alpha,beta-Dihydroxyethyl-ThDPKEGG COMPOUND
alpha,beta-Dihydroxyethyl-TPPKEGG COMPOUND
Manual XrefsDatabases
C13378KEGG COMPOUND