| Properties | Image |
|---|
| MNX_ID | MNXM1409543 |
 |
| reference | chebi:228271 |
| formula | C20H24N10O11P |
| global charge | -1 |
| mol weight | 611.445 |
| InChIKey | ZLNKIMYMVZHDPX-INFSMZHSSA-M |
| InChI | InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/p-1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 |
| SMILES | Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)([O-])OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1 |
MNX internals
| InChI (mnx) | InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 |
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| SMILES (mnx) | [CH2:1]([CH2:8][C@H:4]1[CH2:2][C@@H:3]([CH:12]2[CH:9]=[CH:13][c:10]3[c:11]2[cH:14][cH:16][cH:15][c:17]3[OH:41])[C@H:6]([CH3:7])[C@@H:5]1[CH3:18])[O:39](=[O:38])([O:40][N:24]1[N:21]([N:29]2[N:26]=[N:30][N:27]3=[N:28]2[O:31]=[O:33]([OH:34])[O:32][O:35]3=[O:36])[CH2:20][N:22]([NH:25][CH3:19])[N:23]1[OH:37])[PH2:42] |
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