KNApSAcK Metabolite C00016353
Metabolite
KNApSAcK Entry
| id | C00016353 |
|---|---|
| Name | TMC 2A / L-Tryptophyl-(3S)-1,2,3,4-tetrahydro-6,8-dihydroxy-7-methoxy-3-isoquinolinecarbonyl-5,5'-dihydroxy-L-leucine |
| CAS RN | 195976-77-3 |
| Standard InChI | InChI=1S/C28H34N4O9/c1-41-25-23(35)9-15-8-22(26(37)31-21(28(39)40)6-14(12-33)13-34)32(11-18(15)24(25)36)27(38)19(29)7-16-10-30-20-5-3-2-4-17(16)20/h2-5,9-10,14,19,21-22,30,33-36H,6-8,11-13,29H2,1H3,(H,31,37)(H,39,40)/t19?,21-,22-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H34N4O9/c1-41-25-23(35)9-15-8-22(26(37)31-21(28(39)40)6-14(12-33)13-34)32(11-18(15)24(25)36)27(38)19(29)7-16-10-30-20-5-3-2-4-17(16)20/h2-5,9-10,14,19,21-22,30,33-36H,6-8,11-13,29H2,1H3,(H,31,37)(H,39,40) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 3624 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL285145 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Aspergillaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aspergillus oryzae A437 | 5052 | Aspergillaceae | Fungi |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P27487 | Dipeptidyl peptidase 4 | S9B | CHEMBL285145 |
CHEMBL665779
(1)
|
0 / 1 |