| Properties | Image |
|---|
| MNX_ID | MNXM166044 |
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| reference | sabiorkM:21132 |
| formula | C10H16N5O13P3 |
| global charge | 0 |
| mol weight | 507.182 |
| InChIKey | GLWHPRRGGYLLRV-XLPZGREQSA-N |
| InChI | InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1O |
MNX internals
| InChI (mnx) | InChI=1/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:5]1=[CH:3][N:15]([C@H:8]2[CH2:2][C@H:6]([N:13]=[N+:14]=[N-:11])[C@@H:7]([CH2:4][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]2)[C:10](=[O:17])[N:12]=[C:9]1[OH:16] |
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