| Properties | Image |
|---|
| MNX_ID | MNXM51696 |
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| reference | chebi:10535 |
| formula | C10H15N4O14P3 |
| global charge | 0 |
| mol weight | 508.166 |
| InChIKey | WRTKMPONLHLBBL-KVQBGUIXSA-N |
| InChI | InChI=1S/C10H15N4O14P3/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1 |
| SMILES | O=C1NC(=O)C2=C(N1)N([C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)C=N2 |
MNX internals
| InChI (mnx) | InChI=1/C10H15N4O14P3/c15-4-1-6(14-3-11-7-8(14)12-10(17)13-9(7)16)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,15H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H2,12,13,16,17)/t4-,5+,6+/m0/s1 |
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| SMILES (mnx) | [CH2:1]1[C@H:4]([OH:15])[C@@H:5]([CH2:2][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])[O:26][C@H:6]1[N:14]1[CH:3]=[N:11][C:7]2=[C:8]1[N:12]=[C:10]([OH:17])[N:13]=[C:9]2[OH:16] |
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