| Properties | Image |
|---|
| MNX_ID | MNXM327667 |
 |
| reference | slm:000449692 |
| formula | C43H72O19P3 |
| global charge | -5 |
| mol weight | 985.952 |
| InChIKey | DDUMZEQBALOEJE-HRSUQFIQSA-I |
| InChI | InChI=1S/C43H77O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h8,10-11,13-14,16-18,35,38-43,46-48H,3-7,9,12,15,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/p-5/b10-8-,13-11-,16-14-,18-17-/t35-,38-,39-,40-,41-,42+,43-/m1/s1 |
| SMILES | CCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C43H77O19P3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)34-58-65(55,56)62-43-39(47)41(60-63(49,50)51)38(46)42(40(43)48)61-64(52,53)54/h8,10-11,13-14,16-18,35,38-43,46-48H,3-7,9,12,15,19-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b10-8-,13-11-,16-14-,18-17-/t35-,38-,39-,40-,41-,42+,43-/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]\[CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:44])[O:57][CH2:33][C@H:35]([CH2:34][O:58][P:65]([OH:55])(=[O:56])[O:62][C@@H:43]1[C@H:39]([OH:47])[C@H:41]([O:60][P:63]([OH:49])([OH:50])=[O:51])[C@@H:38]([OH:46])[C@H:42]([O:61][P:64]([OH:52])([OH:53])=[O:54])[C@H:40]1[OH:48])[O:59][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:45] |
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