| Properties | Image |
|---|
| MNX_ID | MNXM1132185 |
 |
| reference | metacycM:CPD-22725 |
| formula | C25H35N11O11PS |
| global charge | 1 |
| mol weight | 728.662 |
| InChIKey | IRHNBGUBBDCVCV-WCQRARAFSA-O |
| InChI | InChI=1S/C25H34N11O11PS/c1-49(5-12-16(38)18(40)24(46-12)36-9-34-14-20(28)30-7-32-22(14)36)3-2-10(26)25(41)47-48(42,43)44-4-11-15(37)17(39)23(45-11)35-8-33-13-19(27)29-6-31-21(13)35/h6-12,15-18,23-24,37-40H,2-5,26H2,1H3,(H4-,27,28,29,30,31,32,42,43)/p+1/t10-,11+,12+,15+,16+,17+,18+,23+,24+,49-/m0/s1 |
| SMILES | C[S@@+](CC[C@H]([NH3+])C(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H34N11O11PS/c1-49(5-12-16(38)18(40)24(46-12)36-9-34-14-20(28)30-7-32-22(14)36)3-2-10(26)25(41)47-48(42,43)44-4-11-15(37)17(39)23(45-11)35-8-33-13-19(27)29-6-31-21(13)35/h6-12,15-18,23-24,37-40H,2-5,26H2,1H3,(H4-,27,28,29,30,31,32,42,43)/t10-,11+,12+,15+,16+,17+,18+,23+,24+,49-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][S@@+:49]([CH2:3][CH2:2][C@@H:10]([C:25](=[O:41])[O:47][P:48]([O-:42])(=[O:43])[O:44][CH2:4][C@@H:11]1[C@@H:15]([OH:37])[C@@H:17]([OH:39])[C@H:23]([N:35]2[CH:8]=[N:33][C:13]3=[C:19]([NH2:27])[N:29]=[CH:6][N:31]=[C:21]32)[O:45]1)[NH2:26])[CH2:5][C@@H:12]1[C@@H:16]([OH:38])[C@@H:18]([OH:40])[C@H:24]([N:36]2[CH:9]=[N:34][C:14]3=[C:20]([NH2:28])[N:30]=[CH:7][N:32]=[C:22]32)[O:46]1 |
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