| Properties | Image |
|---|
| MNX_ID | MNXM9404 |
 |
| reference | chebi:167059 |
| formula | C34H48N7O19P3S |
| global charge | -4 |
| mol weight | 983.777 |
| InChIKey | MHYJAWUBQZNCMM-OQKZBKOQSA-J |
| InChI | InChI=1S/C34H52N7O19P3S/c1-33(2,28(47)31(48)37-11-9-23(44)36-12-13-64-24(45)7-4-18-19-5-6-22(43)34(19,3)10-8-20(18)42)15-57-63(54,55)60-62(52,53)56-14-21-27(59-61(49,50)51)26(46)32(58-21)41-17-40-25-29(35)38-16-39-30(25)41/h4,7,16-21,26-28,32,42,46-47H,5-6,8-15H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/p-4/b7-4+/t18-,19-,20+,21+,26+,27+,28-,32+,34-/m0/s1 |
| SMILES | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/[C@@H]1[C@H](O)CC[C@]2(C)C(=O)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C34H52N7O19P3S/c1-33(2,28(47)31(48)37-11-9-23(44)36-12-13-64-24(45)7-4-18-19-5-6-22(43)34(19,3)10-8-20(18)42)15-57-63(54,55)60-62(52,53)56-14-21-27(59-61(49,50)51)26(46)32(58-21)41-17-40-25-29(35)38-16-39-30(25)41/h4,7,16-21,26-28,32,42,46-47H,5-6,8-15H2,1-3H3,(H,36,44)(H,37,48)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/b7-4+/t18-,19-,20+,21+,26+,27+,28-,32+,34-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:33]([CH3:2])([CH2:15][O:57][P:63]([OH:54])(=[O:55])[O:60][P:62]([OH:52])(=[O:53])[O:56][CH2:14][C@@H:21]1[C@@H:27]([O:59][P:61]([OH:49])([OH:50])=[O:51])[C@@H:26]([OH:46])[C@H:32]([N:41]2[CH:17]=[N:40][C:25]3=[C:29]([NH2:35])[N:38]=[CH:16][N:39]=[C:30]32)[O:58]1)[C@H:28]([C:31](=[N:37][CH2:11][CH2:9][C:23](=[N:36][CH2:12][CH2:13][S:64][C:24](/[CH:7]=[CH:4]/[C@H:18]1[C@@H:19]2[CH2:5][CH2:6][C:22](=[O:43])[C@@:34]2([CH3:3])[CH2:10][CH2:8][C@H:20]1[OH:42])=[O:45])[OH:44])[OH:48])[OH:47] |
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