| Properties | Image |
|---|
| MNX_ID | MNXM1129082 |
 |
| reference | chebi:169715 |
| formula | C10H17N7O12S2 |
| global charge | 0 |
| mol weight | 491.417 |
| InChIKey | VZVIFCSIGSSLRG-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,19-20H,1-2,12H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27) |
| SMILES | NC1=NC2C(COC(=O)NS(=O)(=O)O)[N+]([O-])=C(N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1 |
MNX internals
| InChI (mnx) | InChI=1/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,19-20H,1-2,12H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)/t3?,4?,5?,9? |
 |
| SMILES (mnx) | [CH2:1]1[CH:4]([O:29][S:31]([OH:25])(=[O:26])=[O:27])[C:10]([OH:19])([OH:20])[C:9]23[CH:5]([CH:3]([CH2:2][O:28][C:8](=[N:15][S:30]([OH:22])(=[O:23])=[O:24])[OH:18])[N+:17]([O-:21])=[C:7]([NH2:12])[N:16]12)[NH:13][C:6](=[NH:11])[NH:14]3 |
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