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Mycobactin S
MNXM91562 is deprecated and here replaced by MNXM741405
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM741405 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C44H69N5O10 |
| charge | 0 |
| mass | 827.50444 |
| reference | chebi:31870 |
| InChIKey | DQMISKWZRFJSGS-OGLMXYFKSA-N |
| InChI | InChI=1S/C44H69N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-40(52)48(56)29-22-21-26-36(46-41(53)37-32-58-42(47-37)34-24-18-19-27-38(34)50)44(55)59-33(2)31-39(51)45-35-25-20-23-30-49(57)43(35)54/h17-19,24,27-28,33,35-37,50,56-57H,3-16,20-23,25-26,29-32H2,1-2H3,(H,45,51)(H,46,53)/b28-17+ |
| SMILES | CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCCC(NC(=O)C1COC(c2ccccc2O)=N1)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
