| Properties | Image |
|---|
| MNX_ID | MNXM1134259 |
 |
| reference | metacycM:Cys-ClbK-PKS |
| formula | C17H31N4O9PS2*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H]([NH3+])CS)C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C19H37N4O9PS2/c1-12(24)14(21-4)9-31-33(29,30)32-11-19(2,3)16(26)17(27)23-6-5-15(25)22-7-8-35-18(28)13(20)10-34/h13-14,16,21,26,34H,5-11,20H2,1-4H3,(H,22,25)(H,23,27)(H,29,30)/t13-,14-,16-/m0/s1/i1+1,4+1 |
 |
| SMILES (mnx) | [13CH3:1][C:12]([C@H:14]([CH2:9][O:31][P:33]([OH:29])(=[O:30])[O:32][CH2:11][C:19]([CH3:2])([CH3:3])[C@H:16]([C:17](=[N:23][CH2:6][CH2:5][C:15](=[N:22][CH2:7][CH2:8][S:35][C:18]([C@H:13]([CH2:10][SH:34])[NH2:20])=[O:28])[OH:25])[OH:27])[OH:26])[NH:21][13CH3:4])=[O:24] |
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