Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09BGX
|
|||
| Former ID |
DIB021047
|
|||
| Drug Name |
thiamine monophosphate
|
|||
| Synonyms |
thiamin phosphate; thiamine monophosphate; Thiamine phosphate; thiamin monophosphate; ThMP; CHEBI:9533; 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium; 10023-48-0; 532-40-1; thiamine(1+) monophosphate; Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-,chloride (1:1); thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-; NCGC00164500-01; TPS; AC1L1ASN; Monophosphothiamine parent; bmse000699
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
|
||
| Formula |
C12H18N4O4PS+
|
|||
| Canonical SMILES |
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)O
|
|||
| InChI |
1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
|
|||
| InChIKey |
HZSAJDVWZRBGIF-UHFFFAOYSA-O
|
|||
| CAS Number |
CAS 10023-48-0
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
4319, 820377, 4383243, 4953674, 8150990, 22396032, 24439481, 26715867, 26757919, 47169921, 49655526, 50071200, 57320759, 80006295, 99453833, 103850905, 104252516, 104296852, 111677836, 117627012, 124893119, 126407008, 128136411, 137146522, 141629197, 142616915, 142875963, 152256052, 162865614, 163340096, 178101301, 179293040, 226472015, 245647767, 252449854, 252449855
|
|||
| ChEBI ID |
CHEBI:9533
|
|||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4580). | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.