| Properties | Image |
|---|
| MNX_ID | MNXM9937 |
 |
| reference | metacycM:CPD-10100 |
| formula | C10H14N6O12P3 |
| global charge | -3 |
| mol weight | 503.174 |
| InChIKey | FVGNJWDZZCJDML-QYYRPYCUSA-K |
| InChI | InChI=1S/C10H17N6O12P3/c11-5-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/p-3/t4-,5-,7-,10-/m1/s1 |
| SMILES | NC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H]([NH3+])[C@H]3O)C2=NC=N1 |
MNX internals
| InChI (mnx) | InChI=1/C10H17N6O12P3/c11-5-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:4]1[C@@H:5]([NH2:11])[C@@H:7]([OH:17])[C@H:10]([N:16]2[CH:3]=[N:15][C:6]3=[C:8]([NH2:12])[N:13]=[CH:2][N:14]=[C:9]32)[O:26]1)[O:25][P:30]([OH:21])(=[O:22])[O:28][P:31]([OH:23])(=[O:24])[O:27][P:29]([OH:18])([OH:19])=[O:20] |
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