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Details

Stereochemistry ACHIRAL
Molecular Formula C12H19N4O7P2S.Cl.H2O
Molecular Weight 478.783
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COCARBOXYLASE HYDROCHLORIDE MONOHYDRATE

SMILES

O.[Cl-].CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC=[N+]1CC2=CN=C(C)N=C2N

InChI

InChIKey=YNXBEEQJNLOBNX-UHFFFAOYSA-N
InChI=1S/C12H18N4O7P2S.ClH.H2O/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;1H2

HIDE SMILES / InChI

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H19N4O7P2S
Molecular Weight 425.314
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Cocarboxylase is the coenzyme form of Vitamin B1 present in many animal tissues. Thiamine pyrophosphate (cocarboxylase) is the active form of thiamine, and it serves as a cofactor for several enzymes involved primarily in carbohydrate catabolism. Pancreatic cells obtain thiamin from their surroundings and enzymatically convert it into thiamin pyrophosphate (TPP) in the cytoplasm; TPP is then taken up by mitochondria via a specific carrier the mitochondrial TPP transporter (MTPPT; product of the SLC25A19 gene).

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Cernevit
Preventing
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
After no added thiamine, the diet was then supplemented with 50. 100 and 150 mg of thiamine-HCL respectively for each of three succeeding weeks.
Route of Administration: Oral
In Vitro Use Guide
Mitochondria were isolated from normal lymphoblasts and were incubated for 15 minutes with various concentrations of radioactive ThDP (Cocarboxylase), ranging from 50 to 200 ug.
Substance Class Chemical
Record UNII
C6A4I117L8
Record Status Validated (UNII)
Record Version