| Properties | Image |
|---|
| MNX_ID | MNXM151136 |
 |
| reference | chebi:74273 |
| formula | C13H16N5O8P |
| global charge | 0 |
| mol weight | 401.272 |
| InChIKey | AXFNSZQTTOWMGU-WOUKDFQISA-N |
| InChI | InChI=1S/C13H16N5O8P/c1-5-2-17-11(21)7-10(16-13(17)15-5)18(4-14-7)12-9(20)8(19)6(26-12)3-25-27(22,23)24/h2,4,6,8-9,12,19-20H,3H2,1H3,(H,15,16)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1 |
| SMILES | CC1=CN2C(=O)C3=C(N=C2N1)N([C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C=N3 |
MNX internals
| InChI (mnx) | InChI=1/C13H16N5O8P/c1-5-2-17-11(21)7-10(16-13(17)15-5)18(4-14-7)12-9(20)8(19)6(26-12)3-25-27(22,23)24/h2,4,6,8-9,12,19-20H,3H2,1H3,(H,15,16)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:5]1=[CH:2][N:17]2[C:11](=[O:21])[C:7]3=[C:10]([NH:16][C:13]2=[N:15]1)[N:18]([C@H:12]1[C@H:9]([OH:20])[C@H:8]([OH:19])[C@@H:6]([CH2:3][O:25][P:27]([OH:22])([OH:23])=[O:24])[O:26]1)[CH:4]=[N:14]3 |
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