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dithioholomycin
MNXM164738 is deprecated and here replaced by MNXM1368589
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368589 |
 |
| reference | metacycM:CPD-18199 |
| formula | C7H8N2O2S2 |
| global charge | 0 |
| mol weight | 216.287 |
| InChIKey | LGIRKHAVJNMPDP-DUXPYHPUSA-N |
| InChI | InChI=1S/C7H8N2O2S2/c1-3(10)8-5-6(13)4(2-12)9-7(5)11/h2,12-13H,1H3,(H,8,10)(H,9,11)/b4-2+ |
| SMILES | CC(=O)NC1=C(S)/C(=C\S)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C7H8N2O2S2/c1-3(10)8-5-6(13)4(2-12)9-7(5)11/h2,12-13H,1H3,(H,8,10)(H,9,11)/b4-2+ |
 |
| SMILES (mnx) | [CH3:1][C:3](=[N:8][C:5]1=[C:6]([SH:13])/[C:4](=[CH:2]\[SH:12])[N:9]=[C:7]1[OH:11])[OH:10] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|