| Properties | Image |
|---|
| MNX_ID | MNXM1133898 |
 |
| reference | metacycM:4-Methylpentanoyl-ACP |
| formula | C20H35N3O9PS*2 |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(C)C)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C22H42N3O9PS/c1-15(2)7-8-19(28)36-12-11-24-18(27)9-10-25-21(30)20(29)22(4,5)14-34-35(31,32)33-13-17(23-6)16(3)26/h15,17,20,23,29H,7-14H2,1-6H3,(H,24,27)(H,25,30)(H,31,32)/t17-,20-/m0/s1/i3+1,6+1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[CH2:7][CH2:8][C:19](=[O:28])[S:36][CH2:12][CH2:11][N:24]=[C:18]([CH2:9][CH2:10][N:25]=[C:21]([C@@H:20]([C:22]([CH3:4])([CH3:5])[CH2:14][O:34][P:35]([OH:31])(=[O:32])[O:33][CH2:13][C@@H:17]([C:16]([13CH3:3])=[O:26])[NH:23][13CH3:6])[OH:29])[OH:30])[OH:27] |
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