CHEBI:58938 - thiamine(1+) triphosphate(4−)

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ChEBI Name thiamine(1+) triphosphate(4−)
ChEBI ID CHEBI:58938
ChEBI ASCII Name thiamine(1+) triphosphate(4-)
Definition Trianion of thiamine(1+) diphosphate arising from deprotonation of the four OH groups of the triphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H16N4O10P3S
Net Charge -3
Average Mass 501.26300
Monoisotopic Mass 500.98165
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-3
InChIKey IWLROWZYZPNOFC-UHFFFAOYSA-K
SMILES Cc1ncc(C[n+]2csc(CCOP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)c2C)c(N)n1
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
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): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
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(4−) (CHEBI:58938) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
thiamine(1+) triphosphate(4−) (CHEBI:58938) has role human metabolite (CHEBI:77746)
thiamine(1+) triphosphate(4−) (CHEBI:58938) is a organophosphate oxoanion (CHEBI:58945)
thiamine(1+) triphosphate(4−) (CHEBI:58938) is a vitamin B1 (CHEBI:26948)
thiamine(1+) triphosphate(4−) (CHEBI:58938) is conjugate base of thiamine(1+) triphosphate(1−) (CHEBI:18284)
Incoming thiamine(1+) triphosphate(1−) (CHEBI:18284) is conjugate acid of thiamine(1+) triphosphate(4−) (CHEBI:58938)
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[oxido({[oxido(phosphonatooxy)phosphoryl]oxy})phosphoryl]oxy}ethyl)-1,3-thiazol-3-ium
Synonyms Sources
thiamin triphosphate trianion ChEBI
thiamin triphosphate(3−) ChEBI
thiamine triphosphate UniProt
thiamine triphosphate trianion ChEBI
thiamine triphosphate(3−) ChEBI
TTP(3−) ChEBI
Manual Xrefs Databases
13082025 ChemSpider
CPD-611 MetaCyc
View more database links
Last Modified
19 July 2021