| Properties | Image |
|---|
| MNX_ID | MNXM1134172 |
 |
| reference | metacycM:CPD1A0-6182 |
| formula | C17H26N3O11PS*2 |
| global charge | -2 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)[O-])C([*])=O |
MNX internals
| InChI (mnx) | InChI=1/C19H34N3O11PS/c1-12(23)13(20-4)10-32-34(30,31)33-11-19(2,3)17(28)18(29)22-6-5-14(24)21-7-8-35-16(27)9-15(25)26/h13,17,20,28H,5-11H2,1-4H3,(H,21,24)(H,22,29)(H,25,26)(H,30,31)/t13-,17-/m0/s1/i1+1,4+1 |
 |
| SMILES (mnx) | [13CH3:1][C:12]([C@H:13]([CH2:10][O:32][P:34]([OH:30])(=[O:31])[O:33][CH2:11][C:19]([CH3:2])([CH3:3])[C@H:17]([C:18](=[N:22][CH2:6][CH2:5][C:14](=[N:21][CH2:7][CH2:8][S:35][C:16]([CH2:9][C:15](=[O:25])[OH:26])=[O:27])[OH:24])[OH:29])[OH:28])[NH:20][13CH3:4])=[O:23] |
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