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CHEBI:80223 - 2-Methyl-1-hydroxybutyl-ThPP

ChEBI IDCHEBI:80223
ChEBI Name2-Methyl-1-hydroxybutyl-ThPP
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC17H29N4O8P2S
Net Charge+1
Average Mass511.454
Monoisotopic Mass511.11758
SMILESCC[C@H](C)C(O)c1sc(CCOP(=O)(O)OP(=O)(O)O)c(C)[n+]1Cc1cnc(C)nc1N
InChIInChI=1S/C17H28N4O8P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(32-17)6-7-28-31(26,27)29-30(23,24)25/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1/t10-,15?/m0/s1
InChIKeyCUBSXOWPMAOFDG-MYHCZTBNSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-Methyl-1-hydroxybutyl-ThPP (CHEBI:80223) is a thiamine phosphate (CHEBI:26945)
Synonym  Source
2-Methyl-1-hydroxybutyl-TPPKEGG COMPOUND
Manual XrefsDatabases
C15978KEGG COMPOUND
HMDB0012310HMDB