CHEBI:18290 - thiamine(1+) diphosphate chloride

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ChEBI Name thiamine(1+) diphosphate chloride
ChEBI ID CHEBI:18290
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 C12H19ClN4O7P2S
Net Charge 0
Average Mass 460.76824
Monoisotopic Mass 460.014
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
InChIKey YXVCLPJQTZXJLH-UHFFFAOYSA-N
SMILES [Cl-].Cc1ncc(C[n+]2csc(CCOP(O)(=O)OP(O)(O)=O)c2C)c(N)n1
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)
IUPAC Name
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
cocarboxylasum ChemIDplus
Synonyms Sources
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-diphosphoethyl)-4-methyl-1,3-thiazolium chloride IUBMB
Coenzymate KEGG DRUG
thiamine diphosphate chloride ChEBI
thiamine pyrophosphate ChemIDplus
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
Database Links Databases
D01225 KEGG DRUG
DB01987 DrugBank
View more database links
Registry Numbers Types Sources
154-87-0 CAS Registry Number ChemIDplus
3875902 Beilstein Registry Number Beilstein
3875902 Reaxys Registry Number Reaxys
Last Modified
06 March 2017