| Properties | Image |
| MNX_ID | MNXM148309 |
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| reference | metacycM:L-alanyl-SfmA |
| formula | C17H31N4O9PS*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](C)[NH3+])C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C19H37N4O9PS/c1-12(20)18(28)34-9-8-22-15(25)6-7-23-17(27)16(26)19(3,4)11-32-33(29,30)31-10-14(21-5)13(2)24/h12,14,16,21,26H,6-11,20H2,1-5H3,(H,22,25)(H,23,27)(H,29,30)/t12-,14-,16-/m0/s1/i2+1,5+1 |
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| SMILES (mnx) | [CH3:1][C:11]([13CH3:2])([CH2:7][CH2:17][C:18]([O:27][NH:20][N:21]([N:22]([NH2:23])=[O:25])[O:24][OH:26])([OH:28])=[O:29])[C@H:9]([C:10]([CH2:13][CH2:4][CH2:3][C:8]([CH2:12][13CH2:5][CH2:6][CH2:19][O:30]([O:31]([PH2:33])[SH:34])=[O:32])=[CH2:14])=[CH2:16])[CH3:15] |
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