| Properties | Image |
|---|
| MNX_ID | MNXM728721 |
 |
| reference | biggM:tmrs2eACP |
| formula | C25H45N2O8PS* |
| global charge | -1 |
| mol weight | |
| InChIKey | |
| InChI | |
| SMILES | [*]OP(=O)([O-])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C26H49N2O8PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-23(30)38-20-19-27-22(29)17-18-28-25(32)24(31)26(2,3)21-36-37(33,34)35-4/h15-16,24,31H,5-14,17-21H2,1-4H3,(H,27,29)(H,28,32)(H,33,34)/b16-15?/t24?/i4+1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][C:23](=[O:30])[S:38][CH2:20][CH2:19][N:27]=[C:22]([CH2:17][CH2:18][N:28]=[C:25]([CH:24]([C:26]([CH3:2])([CH3:3])[CH2:21][O:36][P:37]([OH:33])(=[O:34])[O:35][13CH3:4])[OH:31])[OH:32])[OH:29] |
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