| Properties | Image |
|---|
| MNX_ID | MNXM1134160 |
 |
| reference | metacycM:CPD0-1925 |
| formula | C12H15N5O10P2*2 |
| global charge | -2 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN(CCO)C3=N)C[C@@H]1OP(=O)([O-])O[*] |
MNX internals
| InChI (mnx) | InChI=1/C14H23N5O10P2/c1-25-30(21,22)27-6-10-9(29-31(23,24)26-2)5-11(28-10)19-8-16-12-13(15)18(3-4-20)7-17-14(12)19/h7-11,15,20H,3-6H2,1-2H3,(H,21,22)(H,23,24)/b15-13?/t9-,10+,11+/m0/s1/i1+1,2+1 |
 |
| SMILES (mnx) | [13CH3:1][O:25][P:30]([OH:21])(=[O:22])[O:27][CH2:6][C@@H:10]1[C@@H:9]([O:29][P:31]([OH:23])(=[O:24])[O:26][13CH3:2])[CH2:5][C@H:11]([N:19]2[CH:8]=[N:16][C:12]3=[C:14]2[N:17]=[CH:7][N:18]([CH2:3][CH2:4][OH:20])[C:13]3=[NH:15])[O:28]1 |
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