| Properties | Image |
|---|
| MNX_ID | MNXM819777 |
 |
| reference | sabiorkM:31149 |
| formula | C21H26N7O17P3 |
| global charge | 0 |
| mol weight | 741.393 |
| InChIKey | VPYLECDBJZNETQ-HLGREYGBSA-N |
| InChI | InChI=1S/C21H26N7O17P3/c22-18-15-20(25-9-24-18)28(10-26-15)21-17(44-46(33,34)35)16(31)13(43-21)8-41-48(38,39)45-47(36,37)40-7-12(5-29)42-14(6-30)27-3-1-2-11(4-27)19(23)32/h1-6,9-10,12-14,16-17,21,31H,7-8H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t12-,13+,14+,16+,17+,21+/m0/s1 |
| SMILES | N=C(O)C1=C[N+]([C@@H](C=O)O[C@@H](C=O)COP(=O)(O)OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](OP(=O)(O)O)[C@@H]2O)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C21H26N7O17P3/c22-18-15-20(25-9-24-18)28(10-26-15)21-17(44-46(33,34)35)16(31)13(43-21)8-41-48(38,39)45-47(36,37)40-7-12(5-29)42-14(6-30)27-3-1-2-11(4-27)19(23)32/h1-6,9-10,12-14,16-17,21,31H,7-8H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t12-,13+,14+,16+,17+,21+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]([C:19](=[NH:23])[OH:32])=[CH:4][N+:27]([C@@H:14]([CH:6]=[O:30])[O:42][C@@H:12]([CH:5]=[O:29])[CH2:7][O:40][P:47]([OH:36])(=[O:37])[O:45][P:48](=[O:38])([O-:39])[O:41][CH2:8][C@@H:13]2[C@@H:16]([OH:31])[C@@H:17]([O:44][P:46](=[O:33])([OH:34])[OH:35])[C@H:21]([N:28]3[CH:10]=[N:26][C:15]4=[C:18]([NH2:22])[N:24]=[CH:9][N:25]=[C:20]43)[O:43]2)=[CH:3]1 |
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