KNApSAcK Metabolite C00000775
Metabolite
KNApSAcK Entry
| id | C00000775 |
|---|---|
| Name | Thiamin / Thiamine / Vitamin B1 |
| CAS RN | 59-43-8 |
| Standard InChI | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 |
| Standard InChI (Main Layer) | InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3404 |
Link
ChEMBL
| By standard InChI | CHEMBL1547 |
|---|---|
| By standard InChI Main Layer | CHEMBL1547 |
KEGG
| By LinkDB | C00378 |
|---|
CTD
| By CAS RN | D013831 |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| O15244 | Solute carrier family 22 member 2 | Drug uniporter | CHEMBL1547 |
CHEMBL2077777
(1)
CHEMBL2077778
(1)
|
0 / 0 |
| O15245 | Solute carrier family 22 member 1 | Drug uniporter | CHEMBL1547 |
CHEMBL2076204
(1)
|
0 / 0 |
| P29401 | Transketolase | Enzyme | CHEMBL1547 |
CHEMBL947911
(1)
|
0 / 0 |
| Q9H3S4 | Thiamin pyrophosphokinase 1 | Enzyme | CHEMBL1547 |
CHEMBL947913
(1)
|
1 / 0 |
CTD interaction (6)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| D013831 | 10560 |
SLC19A2
TC1 THMD1 THT1 THTR1 TRMA |
solute carrier family 19 (thiamine transporter), member 2 | SLC19A2 protein results in increased uptake of Thiamine |
increases uptake
|
protein |
16705148
|
| D013831 | 10560 |
SLC19A2
TC1 THMD1 THT1 THTR1 TRMA |
solute carrier family 19 (thiamine transporter), member 2 | Thiamine deficiency results in increased expression of SLC19A2 mRNA |
increases expression
|
mRNA |
16705148
|
| D013831 | 10560 |
SLC19A2
TC1 THMD1 THT1 THTR1 TRMA |
solute carrier family 19 (thiamine transporter), member 2 | Thiamine deficiency results in increased expression of SLC19A2 protein |
increases expression
|
protein |
16705148
|
| D013831 | 80704 |
SLC19A3
BBGD THMD2 THTR2 |
solute carrier family 19 (thiamine transporter), member 3 | SLC19A3 protein results in increased uptake of Thiamine |
increases uptake
|
protein |
16705148
|
| D013831 | 80704 |
SLC19A3
BBGD THMD2 THTR2 |
solute carrier family 19 (thiamine transporter), member 3 | Thiamine deficiency results in increased expression of SLC19A3 mRNA |
increases expression
|
mRNA |
16705148
|
| D013831 | 80704 |
SLC19A3
BBGD THMD2 THTR2 |
solute carrier family 19 (thiamine transporter), member 3 | Thiamine deficiency results in increased expression of SLC19A3 protein |
increases expression
|
protein |
16705148
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (1)
| OMIM | preferred title | UniProt |
|---|---|---|
| #614458 | Thiamine metabolism dysfunction syndrome 5 (episodic encephalopathy type); thmd5 |
Q9H3S4
|
Diseases related to CTD interactions
26 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D000138 | D013831 | Acidosis |
therapeutic
|
8765181
|
|
| D000430 | D013831 | Alcohol Withdrawal Delirium |
therapeutic
|
6122874
7220787 |
|
| D001714 | D013831 | Bipolar Disorder |
therapeutic
|
7568661
|
|
| D001927 | D013831 | Brain Diseases |
therapeutic
|
14555540
|
|
| D009202 | D013831 | Cardiomyopathies |
therapeutic
|
6938188
|
|
| D002386 | D013831 | Cataract |
therapeutic
|
11438049
|
|
| D002524 | D013831 | Cerebellar Ataxia |
therapeutic
|
4022349
|
|
| D015362 | D013831 | Child Nutrition Disorders |
therapeutic
|
16153327
|
|
| D002971 | D013831 | Cleft Lip |
therapeutic
|
14991264
|
|
| D002972 | D013831 | Cleft Palate |
therapeutic
|
14991264
|
|
| D003711 | D013831 | Demyelinating Diseases |
marker/mechanism
|
9224999
|
|
| D003875 | D013831 | Drug Eruptions |
marker/mechanism
|
11792017
|
|
| D004342 | D013831 | Drug Hypersensitivity |
marker/mechanism
|
5481417
|
|
| D004660 | D013831 | Encephalitis |
marker/mechanism
|
5481417
|
|
| D006333 | D013831 | Heart Failure |
therapeutic
|
1414337
|
|
| D006501 | D013831 | Hepatic Encephalopathy |
therapeutic
|
20163200
|
|
| D007855 | D013831 | Lead Poisoning |
therapeutic
|
10928693
|
|
| D017240 | D013831 | Mitochondrial Myopathies |
therapeutic
|
6938188
|
|
| D009369 | D013831 | Neoplasms |
marker/mechanism
|
6061664
|
|
| D009410 | D013831 | Nerve Degeneration |
marker/mechanism
|
18481165
|
|
| D010146 | D013831 | Pain |
therapeutic
|
11516431
|
|
| D010523 | D013831 | Peripheral Nervous System Diseases |
marker/mechanism
|
6287825
16285603 |
|
| D011115 | D013831 | Polyneuropathies |
marker/mechanism
|
1017763
9224999 16285603 |
|
| D012640 | D013831 | Seizures |
marker/mechanism
|
1463588
|
|
| D014581 | D013831 | Urticaria |
marker/mechanism
|
11792017
|
|
| D014899 | D013831 | Wernicke Encephalopathy |
therapeutic
|
2499199
6410237 8765181 14644703 17583600 19654964 20426524 |