| Properties | Image |
|---|
| MNX_ID | MNXM13050 |
 |
| reference | metacycM:CPD-13100 |
| formula | C12H12N5O7P |
| global charge | -2 |
| mol weight | 369.23 |
| InChIKey | GLYAMNXJUPATCT-PPSWKLDYSA-L |
| InChI | InChI=1S/C12H14N5O7P/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h2,4,6,8-9,12,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/p-2/t6-,8-,9-,12+/m1/s1 |
| SMILES | N#CC1=CN([C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=NC=NC(N)=C12 |
MNX internals
| InChI (mnx) | InChI=1/C12H14N5O7P/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h2,4,6,8-9,12,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t6-,8-,9-,12+/m1/s1 |
 |
| SMILES (mnx) | [C:1]([C:5]1=[CH:2][N:17]([C@@H:12]2[C@H:9]([OH:19])[C@H:8]([OH:18])[C@@H:6]([CH2:3][O:23][P:25]([OH:20])([OH:21])=[O:22])[O:24]2)[C:11]2=[C:7]1[C:10]([NH2:14])=[N:15][CH:4]=[N:16]2)#[N:13] |
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