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CHEBI:80220 - 3-Methyl-1-hydroxybutyl-ThPP

ChEBI IDCHEBI:80220
ChEBI Name3-Methyl-1-hydroxybutyl-ThPP
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC17H29N4O8P2S
Net Charge+1
Average Mass511.454
Monoisotopic Mass511.11758
SMILESCc1ncc(C[n+]2c(C(O)CC(C)C)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
InChIInChI=1S/C17H28N4O8P2S/c1-10(2)7-14(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)15(32-17)5-6-28-31(26,27)29-30(23,24)25/h8,10,14,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1
InChIKeyOZAWOYZVNPQFFO-UHFFFAOYSA-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)
3-Methyl-1-hydroxybutyl-ThPP (CHEBI:80220) is a thiamine phosphate (CHEBI:26945)
Synonym  Source
3-Methyl-1-hydroxybutyl-TPPKEGG COMPOUND
Manual XrefsDatabases
C15974KEGG COMPOUND
HMDB0006865HMDB