| Properties | Image |
|---|
| MNX_ID | MNXM59321 |
 |
| reference | metacycM:CPD0-915 |
| formula | C14H18N6O10P |
| global charge | -1 |
| mol weight | 461.304 |
| InChIKey | QPBSGQWTJLPZNF-VWJPMABRSA-M |
| InChI | InChI=1S/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/p-1/t5-,6+,9+,10+,13+/m0/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)[C@@H]([NH3+])CC(=O)[O-])[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C14H19N6O10P/c15-5(1-7(21)22)14(25)30-31(26,27)28-2-6-9(23)10(24)13(29-6)20-4-19-8-11(16)17-3-18-12(8)20/h3-6,9-10,13,23-24H,1-2,15H2,(H,21,22)(H,26,27)(H2,16,17,18)/t5-,6+,9+,10+,13+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:5]([C:14](=[O:25])[O:30][P:31]([OH:26])(=[O:27])[O:28][CH2:2][C@@H:6]1[C@@H:9]([OH:23])[C@@H:10]([OH:24])[C@H:13]([N:20]2[CH:4]=[N:19][C:8]3=[C:11]([NH2:16])[N:17]=[CH:3][N:18]=[C:12]32)[O:29]1)[NH2:15])[C:7](=[O:21])[OH:22] |
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