| Properties | Image |
|---|
| MNX_ID | MNXM728604 |
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| reference | biggM:3ohexACP |
| formula | C17H29N2O9PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C18H33N2O9PS/c1-5-6-13(21)11-15(23)31-10-9-19-14(22)7-8-20-17(25)16(24)18(2,3)12-29-30(26,27)28-4/h16,24H,5-12H2,1-4H3,(H,19,22)(H,20,25)(H,26,27)/t16?/i4+1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][C:13]([CH2:11][C:15](=[O:23])[S:31][CH2:10][CH2:9][N:19]=[C:14]([CH2:7][CH2:8][N:20]=[C:17]([CH:16]([C:18]([CH3:2])([CH3:3])[CH2:12][O:29][P:30]([OH:26])(=[O:27])[O:28][13CH3:4])[OH:24])[OH:25])[OH:22])=[O:21] |
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