| Properties | Image |
|---|
| MNX_ID | MNXM1371935 |
 |
| reference | seedM:cpd15443 |
| formula | C9H13N5O13P3 |
| global charge | -3 |
| mol weight | 492.147 |
| InChIKey | DAAXQXLWOSUXJM-BKLSDQPFSA-K |
| InChI | InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h3-4,12,15H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/p-3/t3?,4-/m0/s1 |
| SMILES | NC1=NC(=O)C2=C(NCC(C(=O)[C@@H](O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)N2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h3-4,12,15H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t3?,4-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]([C:6]([C@H:4]([CH2:2][O:25][P:29]([OH:21])(=[O:22])[O:27][P:30]([OH:23])(=[O:24])[O:26][P:28]([OH:18])([OH:19])=[O:20])[OH:15])=[O:16])[NH:12][C:5]2=[C:7]([NH:11]1)[NH:13][C:9](=[NH:10])[N:14]=[C:8]2[OH:17] |
|