| Properties | Image |
|---|
| MNX_ID | MNXM726795 |
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| reference | chebi:231528 |
| formula | C24H36N7O18P3S |
| global charge | -4 |
| mol weight | 835.572 |
| InChIKey | VIWKEBOLLIEAIL-IBNUZSNCSA-J |
| InChI | InChI=1S/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t12-,13+,16+,17+,18-,22+/m0/s1 |
| SMILES | C[C@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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-] |
MNX internals
| InChI (mnx) | InChI=1/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,32,34-35H,4-9H2,1-3H3,(H,26,33)(H,27,36)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13+,16+,17+,18-,22+/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:12]([C:23](=[O:37])[S:53][CH2:7][CH2:6][N:26]=[C:14]([CH2:4][CH2:5][N:27]=[C:21]([C@@H:18]([C:24]([CH3:2])([CH3:3])[CH2:9][O:46][P:52]([OH:43])(=[O:44])[O:49][P:51]([OH:41])(=[O:42])[O:45][CH2:8][C@@H:13]1[C@@H:17]([O:48][P:50]([OH:38])([OH:39])=[O:40])[C@@H:16]([OH:34])[C@H:22]([N:31]2[CH:11]=[N:30][C:15]3=[C:19]([NH2:25])[N:28]=[CH:10][N:29]=[C:20]32)[O:47]1)[OH:35])[OH:36])[OH:33])[OH:32] |
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