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thiamine(1+) diphosphate (CHEBI:9532)

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ChEBI Name thiamine(1+) diphosphate
ChEBI ID CHEBI:9532
Definition A 1,3-thiazolium cation that is the conjugate acid of thiamine(1+) diphosphate(1).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
See structure as:  Image  Applet
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Formula Source
C12H19N4O7P2S KEGG COMPOUND
Net Charge +1
Average Mass 425.31554
InChI
InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
InChIKey
AYEKOFBPNLCAJY-UHFFFAOYSA-O
SMILES
Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)(O)=O)c2C)c(N)n1
Metabolite of Species Sources
Isolated from Mus musculus (NCBI:10090) PubMed
Isolated from Arabidopsis thaliana (NCBI:3702) PubMed
Isolated from Saccharomyces cerevisiae (NCBI:4932) PubMed
Isolated from Escherichia coli (NCBI:562) PubMed
Isolated from Homo sapiens (NCBI:9606) PubMed
Roles Classification
Biological Role(s): fundamental metabolite
Any metabolite produced by all living cells.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) diphosphate (CHEBI:9532) has role fundamental metabolite (CHEBI:78675)
thiamine(1+) diphosphate (CHEBI:9532) is a 1,3-thiazolium cation (CHEBI:63048)
thiamine(1+) diphosphate (CHEBI:9532) is conjugate acid of thiamine(1+) diphosphate(1−) (CHEBI:45931)
thiamine(1+) diphosphate (CHEBI:9532) is conjugate acid of thiamine(1+) diphosphate(3−) (CHEBI:58937)
Incoming thiamine(1+) diphosphate chloride (CHEBI:18290) has part thiamine(1+) diphosphate (CHEBI:9532)
thiamine(1+) diphosphate(1−) (CHEBI:45931) is conjugate base of thiamine(1+) diphosphate (CHEBI:9532)
thiamine(1+) diphosphate(3−) (CHEBI:58937) is conjugate base of thiamine(1+) diphosphate (CHEBI:9532)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium
Synonyms Sources
Thiamin diphosphate KEGG COMPOUND
Thiamin pyrophosphate KEGG COMPOUND
Thiamine diphosphate KEGG COMPOUND
ThPP KEGG COMPOUND
TPP KEGG COMPOUND
Database Links Databases
C00019627 KNApSAcK
C00068 KEGG COMPOUND
ECMDB01372 ECMDB
HMDB01372 HMDB
THIAMINE-PYROPHOSPHATE MetaCyc
TPP PDBeChem
YMDB00381 YMDB
View more database links
Registry Numbers Types Sources
154-87-0 CAS Registry Number KEGG COMPOUND
3577792 Reaxys Registry Number Reaxys
3577792 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12111441 PubMed citation CiteXplore
16850348 PubMed citation CiteXplore
17611796 PubMed citation CiteXplore
6121420 PubMed citation CiteXplore
Last Modified
04 September 2014

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