A1IY6
Summary
| Name: | Se-2,6-diaminopurinribosyl-selenohomocysteineamide |
| Synonyms: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylselanyl]butanamide SeDHA |
| Formula: | C14 H22 N8 O4 Se |
| Formal charge: | 0 |
| Formula weight: | 445.336 Da |
| Component type: | RNA OH 3 prime terminus |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylselanyl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H22N8O4Se/c15-5(11(17)25)1-2-27-3-6-8(23)9(24)13(26-6)22-4-19-7-10(16)20-14(18)21-12(7)22/h4-6,8-9,13,23-24H,1-3,15H2,(H2,17,25)(H4,16,18,20,21)/t5-,6+,8+,9+,13+/m0/s1 |
| InChIKey | InChI | 1.06 | MSXIHLRPNLBPQD-YTMOPEAISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nc(N)nc23)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](CC[Se]C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nc(N)nc23)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)N)N)O)O)N)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc2c(nc(nc2n1C3C(C(C(O3)C[Se]CCC(C(=O)N)N)O)O)N)N |
