KNApSAcK Metabolite C00029041
Metabolite
KNApSAcK Entry
| id | C00029041 |
|---|---|
| Name | Squalamine |
| CAS RN | 148717-90-2 |
| Standard InChI | InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 6698 |
Link
ChEMBL
| By standard InChI | CHEMBL444929 |
|---|---|
| By standard InChI Main Layer | CHEMBL444929 |
KEGG
| By LinkDB | C16841 |
|---|
CTD
| By CAS RN | C079655 |
|---|