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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
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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