| Properties | Image |
|---|
| MNX_ID | MNXM819773 |
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| reference | sabiorkM:31131 |
| formula | C9H12N6O14P3 |
| global charge | -3 |
| mol weight | 521.145 |
| InChIKey | MALHDCFOPUXKPI-UMMCILCDSA-K |
| InChI | InChI=1S/C9H15N6O14P3/c10-9-11-6-3(7(18)12-9)13-14-15(6)8-5(17)4(16)2(27-8)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4-5,8,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,10,11,12,18)/p-3/t2-,4-,5-,8-/m1/s1 |
| SMILES | N=C1N=C([O-])C2=C(N1)N([C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]1O)N=N2 |
MNX internals
| InChI (mnx) | InChI=1/C9H15N6O14P3/c10-9-11-6-3(7(18)12-9)13-14-15(6)8-5(17)4(16)2(27-8)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,4-5,8,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,10,11,12,18)/t2-,4-,5-,8-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([C@@H:2]1[C@@H:4]([OH:16])[C@@H:5]([OH:17])[C@H:8]([N:15]2[C:6]3=[C:3]([C:7]([OH:18])=[N:12][C:9](=[NH:10])[NH:11]3)[N:13]=[N:14]2)[O:27]1)[O:26][P:31]([OH:22])(=[O:23])[O:29][P:32]([OH:24])(=[O:25])[O:28][P:30]([OH:19])([OH:20])=[O:21] |
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