| Properties | Image |
|---|
| MNX_ID | MNXM56897 |
 |
| reference | seedM:cpd26104 |
| formula | C10H14N2O15P3 |
| global charge | -3 |
| mol weight | 495.143 |
| InChIKey | RLHFVRMIEVOHOR-FXQIFTODSA-K |
| InChI | InChI=1S/C10H17N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/p-3/t6-,7-,8-/m0/s1 |
| SMILES | O=C1NC(=O)N([C@@H]2C[C@H](O)[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])O2)C=C1CO |
MNX internals
| InChI (mnx) | InChI=1/C10H17N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7-,8-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:6]([OH:14])[C@H:7]([CH2:4][O:24][P:29]([OH:20])(=[O:21])[O:27][P:30]([OH:22])(=[O:23])[O:26][P:28]([OH:17])([OH:18])=[O:19])[O:25][C@@H:8]1[N:12]1[CH:2]=[C:5]([CH2:3][OH:13])[C:9]([OH:15])=[N:11][C:10]1=[O:16] |
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