CHEBI:9534 - thiamine(1+) triphosphate

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ChEBI Name thiamine(1+) triphosphate
ChEBI ID CHEBI:9534
Definition A thiamine phosphate having an O-triphosphate moiety.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H20N4O10P3S
Net Charge +1
Average Mass 505.29544
Monoisotopic Mass 505.011
InChI InChI=1S/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1
InChIKey IWLROWZYZPNOFC-UHFFFAOYSA-O
SMILES Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)c2C)c(N)n1
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) triphosphate (CHEBI:9534) has role mouse metabolite (CHEBI:75771)
thiamine(1+) triphosphate (CHEBI:9534) is a 1,3-thiazolium cation (CHEBI:63048)
thiamine(1+) triphosphate (CHEBI:9534) is conjugate acid of thiamine(1+) triphosphate(1−) (CHEBI:18284)
thiamine(1+) triphosphate (CHEBI:9534) is conjugate acid of thiamine(1+) triphosphate(4−) (CHEBI:58938)
Incoming thiamine(1+) triphosphate(1−) (CHEBI:18284) is conjugate base of thiamine(1+) triphosphate (CHEBI:9534)
thiamine(1+) triphosphate(4−) (CHEBI:58938) is conjugate base of thiamine(1+) triphosphate (CHEBI:9534)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(triphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium
Synonyms Sources
Thiamin triphosphate KEGG COMPOUND
Thiamine triphosphate KEGG COMPOUND
Database Link Database
C03028 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3475-65-8 CAS Registry Number KEGG COMPOUND
3808304 Beilstein Registry Number Beilstein
Last Modified
27 January 2016