| Properties | Image |
|---|
| MNX_ID | MNXM323192 |
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| reference | slm:000468792 |
| formula | C45H72O19P3 |
| global charge | -5 |
| mol weight | 1009.974 |
| InChIKey | CYVSKGJFKUVZJE-LJPREURPSA-I |
| InChI | InChI=1S/C45H77O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h8,10-11,13-14,16-18,20,22,26,28,37,40-45,48-50H,3-7,9,12,15,19,21,23-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/p-5/b10-8-,13-11-,16-14-,18-17-,22-20-,28-26-/t37-,40-,41+,42+,43-,44-,45-/m1/s1 |
| SMILES | CCC/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)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H77O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)61-37(35-59-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h8,10-11,13-14,16-18,20,22,26,28,37,40-45,48-50H,3-7,9,12,15,19,21,23-25,27,29-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b10-8-,13-11-,16-14-,18-17-,22-20-,28-26-/t37-,40-,41+,42+,43-,44-,45-/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]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:34][C:39](=[O:47])[O:61][C@H:37]([CH2:35][O:59][C:38]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH2:4][CH3:2])=[O:46])[CH2:36][O:60][P:67]([OH:57])(=[O:58])[O:64][C@@H:43]1[C@H:40]([OH:48])[C@H:41]([OH:49])[C@@H:44]([O:62][P:65]([OH:51])([OH:52])=[O:53])[C@H:45]([O:63][P:66]([OH:54])([OH:55])=[O:56])[C@H:42]1[OH:50] |
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