| Properties | Image |
|---|
| MNX_ID | MNXM38910 |
 |
| reference | chebi:41304 |
| formula | C17H20N5O7P |
| global charge | 0 |
| mol weight | 437.349 |
| InChIKey | QWBOXDSUUMFHFW-YNEHKIRRSA-N |
| InChI | InChI=1S/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1 |
| SMILES | NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(OCC2=CC=CC=C2)=N1 |
MNX internals
| InChI (mnx) | InChI=1/C17H20N5O7P/c18-17-20-15-14(16(21-17)27-7-10-4-2-1-3-5-10)19-9-22(15)13-6-11(23)12(29-13)8-28-30(24,25)26/h1-5,9,11-13,23H,6-8H2,(H2,18,20,21)(H2,24,25,26)/t11-,12+,13+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:10]([CH2:7][O:27][C:16]2=[N:21][C:17](=[NH:18])[NH:20][C:15]3=[C:14]2[N:19]=[CH:9][N:22]3[C@H:13]2[CH2:6][C@H:11]([OH:23])[C@@H:12]([CH2:8][O:28][P:30]([OH:24])([OH:25])=[O:26])[O:29]2)[CH:5]=[CH:3]1 |
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