| Properties | Image |
|---|
| MNX_ID | MNXM41203 |
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| reference | chebi:60587 |
| formula | C19H33N2O13PS*2 |
| global charge | 0 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]CC(CC([*])C(N)=O)C(=O)NCCSCCCO[C@]1(C(=O)O)C[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H](O)CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C21H39N2O13PS/c1-3-13(9-12(2)18(22)27)19(28)23-5-8-38-7-4-6-34-21(20(29)30)10-15(36-37(31,32)33)16(26)17(35-21)14(25)11-24/h12-17,24-26H,3-11H2,1-2H3,(H2,22,27)(H,23,28)(H,29,30)(H2,31,32,33)/t12?,13?,14-,15-,16-,17-,21-/m1/s1/i1+1,2+1 |
 |
| SMILES (mnx) | [13CH3:1][CH2:3][CH:13]([CH2:9][CH:12]([13CH3:2])[C:18](=[NH:22])[OH:27])[C:19](=[N:23][CH2:5][CH2:8][S:38][CH2:7][CH2:4][CH2:6][O:34][C@:21]1([C:20](=[O:29])[OH:30])[CH2:10][C@@H:15]([O:36][P:37]([OH:31])([OH:32])=[O:33])[C@@H:16]([OH:26])[C@@H:17]([C@@H:14]([CH2:11][OH:24])[OH:25])[O:35]1)[OH:28] |
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