CHEBI:18290 - thiamine(1+) diphosphate chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name thiamine(1+) diphosphate chloride
Definition An organic chloride salt of thiamine(1+) diphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26943, CHEBI:31427
Supplier Information
Download Molfile XML SDF
Formula C12H19N4O7P2S.Cl
Net Charge 0
Average Mass 460.760
Monoisotopic Mass 460.01382
InChI InChI=1S/C12H18N4O7P2S.ClH/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);1H
SMILES [Cl-].CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC1=C(N)N=C(C)N=C1
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+) diphosphate chloride (CHEBI:18290) has part thiamine(1+) diphosphate (CHEBI:9532)
thiamine(1+) diphosphate chloride (CHEBI:18290) is a organic chloride salt (CHEBI:36094)
thiamine(1+) diphosphate chloride (CHEBI:18290) is a vitamin B1 (CHEBI:26948)
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium chloride
INNs Sources
cocarboxilasa ChemIDplus
cocarboxylase ChemIDplus
cocarboxylase ChemIDplus
cocarboxylasum ChemIDplus
Synonyms Sources
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride IUBMB
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride IUPAC
cocarboxylase chloride ChEBI
Coenzymate KEGG DRUG
thiamine diphosphate chloride ChEBI
thiamine diphosphoric acid ester chloride ChEBI
thiamine pyrophosphate ChemIDplus
thiaminium diphosphoric acid ester chloride ChEBI
thiaminium pyrophosphate chloride ChEBI
thiaminium pyrophosphoric acid ester chloride ChEBI
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,6-trihydroxy-3,5-dioxa-4,6-diphosphahex-1-yl)-, chloride, P,P'-dioxide ChemIDplus
TPP ChemIDplus
vitamin B1 pyrophosphate chloride ChemIDplus
Manual Xrefs Databases
8715 ChemSpider
DBSALT002497 DrugBank
View more database links
Registry Numbers Types Sources
154-87-0 CAS Registry Number ChemIDplus
3875902 Reaxys Registry Number Reaxys
3875902 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
26021112 PubMed citation Europe PMC
31277705 PubMed citation Europe PMC
33635634 PubMed citation Europe PMC
33863818 PubMed citation Europe PMC
Last Modified
19 July 2021