72J
7-(N-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-dATP
Find entries where: 72J
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 7-(N-(10-hydroxydecanoyl)-aminopentenyl)-7-deaza-2'-dATP |
| Identifiers | [[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[(~{E})-5-(10-oxidanyldecanoylamino)pent-1-enyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| Formula | C26 H44 N5 O14 P3 |
| Molecular Weight | 743.574 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1c(c2c(ncnc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N)/C=C/CCCNC(=O)CCCCCCCCCO |
| InChI | InChI=1S/C26H44N5O14P3/c27-25-24-19(11-7-6-9-13-28-22(34)12-8-4-2-1-3-5-10-14-32)16-31(26(24)30-18-29-25)23-15-20(33)21(43-23)17-42-47(38,39)45-48(40,41)44-46(35,36)37/h7,11,16,18,20-21,23,32-33H,1-6,8-10,12-15,17H2,(H,28,34)(H,38,39)(H,40,41)(H2,27,29,30)(H2,35,36,37)/b11-7+/t20-,21+,23+/m0/s1 |
| InChIKey | KGSINQKQGHRQNT-MNMHHJAXSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 92 |
| Chiral Atom Count | 3 |
| Bond Count | 94 |
| Aromatic Bond Count | 10 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 122706719 |
