| Properties | Image |
|---|
| MNX_ID | MNXM328474 |
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| reference | slm:000430518 |
| formula | C42H74O19P3 |
| global charge | -5 |
| mol weight | 975.957 |
| InChIKey | FVMDMTYOAPUCJR-WGGZMZSDSA-I |
| InChI | InChI=1S/C42H79O19P3/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)56-32-34(58-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)33-57-64(54,55)61-40-37(45)38(46)41(59-62(48,49)50)42(39(40)47)60-63(51,52)53/h11,13,17-18,34,37-42,45-47H,3-10,12,14-16,19-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/p-5/b13-11-,18-17-/t34-,37-,38-,39+,40+,41+,42+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H79O19P3/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(43)56-32-34(58-36(44)31-29-27-25-23-20-16-14-12-10-8-6-4-2)33-57-64(54,55)61-40-37(45)38(46)41(59-62(48,49)50)42(39(40)47)60-63(51,52)53/h11,13,17-18,34,37-42,45-47H,3-10,12,14-16,19-33H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b13-11-,18-17-/t34-,37-,38-,39+,40+,41+,42+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:35](=[O:43])[O:56][CH2:32][C@H:34]([CH2:33][O:57][P:64]([OH:54])(=[O:55])[O:61][C@H:40]1[C@H:37]([OH:45])[C@@H:38]([OH:46])[C@H:41]([O:59][P:62]([OH:48])([OH:49])=[O:50])[C@@H:42]([O:60][P:63]([OH:51])([OH:52])=[O:53])[C@H:39]1[OH:47])[O:58][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44] |
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