| Properties | Image |
|---|
| MNX_ID | MNXM165099 |
 |
| reference | metacycM:CPD-18550 |
| formula | C19H17N7O8P |
| global charge | -1 |
| mol weight | 502.36 |
| InChIKey | VMJWEICPCDRXQL-SCFUHWHPSA-M |
| InChI | InChI=1S/C19H18N7O8P/c20-16-13-17(23-7-22-16)26(8-24-13)18-15(28)14(27)12(33-18)6-32-35(30,31)34-19(29)11-5-21-9-3-1-2-4-10(9)25-11/h1-5,7-8,12,14-15,18,27-28H,6H2,(H,30,31)(H2,20,22,23)/p-1/t12-,14-,15-,18-/m1/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)C2=NC3=CC=CC=C3N=C2)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C19H18N7O8P/c20-16-13-17(23-7-22-16)26(8-24-13)18-15(28)14(27)12(33-18)6-32-35(30,31)34-19(29)11-5-21-9-3-1-2-4-10(9)25-11/h1-5,7-8,12,14-15,18,27-28H,6H2,(H,30,31)(H2,20,22,23)/t12-,14-,15-,18-/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]2[C:9](=[CH:3]1)[N:21]=[CH:5][C:11]([C:19](=[O:29])[O:34][P:35]([OH:30])(=[O:31])[O:32][CH2:6][C@@H:12]1[C@@H:14]([OH:27])[C@@H:15]([OH:28])[C@H:18]([N:26]3[CH:8]=[N:24][C:13]4=[C:16]([NH2:20])[N:22]=[CH:7][N:23]=[C:17]43)[O:33]1)=[N:25]2 |
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