| Properties | Image |
|---|
| MNX_ID | MNXM1133895 |
 |
| reference | metacycM:4-Methylhexanoyl-ACP |
| formula | C21H37N3O9PS*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)CC[C@@H](C)CC)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C23H44N3O9PS/c1-7-16(2)8-9-20(29)37-13-12-25-19(28)10-11-26-22(31)21(30)23(4,5)15-35-36(32,33)34-14-18(24-6)17(3)27/h16,18,21,24,30H,7-15H2,1-6H3,(H,25,28)(H,26,31)(H,32,33)/t16-,18-,21-/m0/s1/i3+1,6+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C@H:16]([CH3:2])[CH2:8][CH2:9][C:20](=[O:29])[S:37][CH2:13][CH2:12][N:25]=[C:19]([CH2:10][CH2:11][N:26]=[C:22]([C@@H:21]([C:23]([CH3:4])([CH3:5])[CH2:15][O:35][P:36]([OH:32])(=[O:33])[O:34][CH2:14][C@@H:18]([C:17]([13CH3:3])=[O:27])[NH:24][13CH3:6])[OH:30])[OH:31])[OH:28] |
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