| Properties | Image |
|---|
| MNX_ID | MNXM160355 |
 |
| reference | chebi:73276 |
| formula | C30H38N15O16P3 |
| global charge | 0 |
| mol weight | 957.645 |
| InChIKey | VCORFLZFSPUNDN-UAGCYRGNSA-N |
| InChI | InChI=1S/C30H38N15O16P3/c31-25-22-28(37-7-34-25)43(10-40-22)19-1-13(46)16(57-19)4-55-63(50,51)61-15-3-21(45-12-42-24-27(33)36-9-39-30(24)45)59-18(15)6-56-64(52,53)60-14-2-20(58-17(14)5-54-62(47,48)49)44-11-41-23-26(32)35-8-38-29(23)44/h7-21,46H,1-6H2,(H,50,51)(H,52,53)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,47,48,49)/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m0/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)C[C@@H]2O)[C@@H](COP(=O)(O)O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C30H38N15O16P3/c31-25-22-28(37-7-34-25)43(10-40-22)19-1-13(46)16(57-19)4-55-63(50,51)61-15-3-21(45-12-42-24-27(33)36-9-39-30(24)45)59-18(15)6-56-64(52,53)60-14-2-20(58-17(14)5-54-62(47,48)49)44-11-41-23-26(32)35-8-38-29(23)44/h7-21,46H,1-6H2,(H,50,51)(H,52,53)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,47,48,49)/t13-,14-,15-,16+,17+,18+,19+,20+,21+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]1[C@H:13]([OH:46])[C@@H:16]([CH2:4][O:55][P:63]([OH:50])(=[O:51])[O:61][C@H:15]2[CH2:3][C@H:21]([N:45]3[CH:12]=[N:42][C:24]4=[C:27]([NH2:33])[N:36]=[CH:9][N:39]=[C:30]43)[O:59][C@@H:18]2[CH2:6][O:56][P:64]([OH:52])(=[O:53])[O:60][C@H:14]2[CH2:2][C@H:20]([N:44]3[CH:11]=[N:41][C:23]4=[C:26]([NH2:32])[N:35]=[CH:8][N:38]=[C:29]43)[O:58][C@@H:17]2[CH2:5][O:54][P:62]([OH:47])([OH:48])=[O:49])[O:57][C@H:19]1[N:43]1[CH:10]=[N:40][C:22]2=[C:25]([NH2:31])[N:34]=[CH:7][N:37]=[C:28]21 |
|