CHEBI:18284 - thiamine(1+) triphosphate(1−)

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ChEBI Name thiamine(1+) triphosphate(1−)
ChEBI ID CHEBI:18284
ChEBI ASCII Name thiamine(1+) triphosphate(1-)
Definition An ammonium betaine that is the conjugate base of thiamine(1+) triphosphate arising from the deptoronation of one of the hydroxy groups of the terminal phosphate group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15232, CHEBI:26946
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C12H19N4O10P3S
Net Charge 0
Average Mass 504.28750
Monoisotopic Mass 504.00347
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)
InChIKey IWLROWZYZPNOFC-UHFFFAOYSA-N
SMILES Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)(=O)OP(O)([O-])=O)c2C)c(N)n1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): water-soluble vitamin (role)
Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine.
(via B vitamin )
Application(s): nutraceutical
A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
(via B vitamin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiamine(1+) triphosphate(1−) (CHEBI:18284) is a ammonium betaine (CHEBI:35284)
thiamine(1+) triphosphate(1−) (CHEBI:18284) is a thiamine phosphate (CHEBI:26945)
thiamine(1+) triphosphate(1−) (CHEBI:18284) is a vitamin B1 (CHEBI:26948)
thiamine(1+) triphosphate(1−) (CHEBI:18284) is conjugate acid of thiamine(1+) triphosphate(4−) (CHEBI:58938)
thiamine(1+) triphosphate(1−) (CHEBI:18284) is conjugate base of thiamine(1+) triphosphate (CHEBI:9534)
Incoming thiamine(1+) triphosphate (CHEBI:9534) is conjugate acid of thiamine(1+) triphosphate(1−) (CHEBI:18284)
thiamine(1+) triphosphate(4−) (CHEBI:58938) is conjugate base of thiamine(1+) triphosphate(1−) (CHEBI:18284)
IUPAC Name
2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl trihydrogen triphosphate
Synonyms Sources
5-(2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)-1,3,5-trihydroxytriphosphoxan-1-olate 1,3,5-trioxide IUPAC
thiamin triphosphate ChEBI
thiamine triphosphate ChEBI
TTP ChEBI
Manual Xref Database
17927 ChemSpider
View more database links
Registry Numbers Types Sources
3475-65-8 CAS Registry Number ChemIDplus
3812917 Beilstein Registry Number Beilstein
Last Modified
19 July 2021