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

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ChEBI Name 3-Methyl-1-hydroxybutyl-ThPP
ChEBI ID CHEBI:80220
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H29N4O8P2S
Net Charge +1
Average Mass 511.44700
Monoisotopic Mass 511.11759
InChI InChI=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
InChIKey OZAWOYZVNPQFFO-UHFFFAOYSA-O
SMILES CC(C)CC(O)c1sc(CCOP(O)(=O)OP(O)(O)=O)c(C)[n+]1Cc1cnc(C)nc1N
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Methyl-1-hydroxybutyl-ThPP (CHEBI:80220) is a thiamine phosphate (CHEBI:26945)
Synonym Source
3-Methyl-1-hydroxybutyl-TPP KEGG COMPOUND
Manual Xrefs Databases
C15974 KEGG COMPOUND
HMDB0006865 HMDB
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Last Modified
27 January 2016