| Properties | Image |
|---|
| MNX_ID | MNXM180553 |
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| reference | slm:000445360 |
| formula | C53H88O19P3 |
| global charge | -5 |
| mol weight | 1122.19 |
| InChIKey | RQJIDNADNLMWKC-MIWYPKCHSA-I |
| InChI | InChI=1S/C53H93O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)44-68-75(65,66)72-53-49(57)51(70-73(59,60)61)48(56)52(50(53)58)71-74(62,63)64/h5,7,11,13,17-18,20-21,23-24,26-27,45,48-53,56-58H,3-4,6,8-10,12,14-16,19,22,25,28-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/p-5/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-/t45-,48-,49-,50-,51-,52+,53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](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)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H93O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-46(54)67-43-45(69-47(55)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2)44-68-75(65,66)72-53-49(57)51(70-73(59,60)61)48(56)52(50(53)58)71-74(62,63)64/h5,7,11,13,17-18,20-21,23-24,26-27,45,48-53,56-58H,3-4,6,8-10,12,14-16,19,22,25,28-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-/t45-,48-,49-,50-,51-,52+,53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:67][CH2:43][C@H:45]([CH2:44][O:68][P:75]([OH:65])(=[O:66])[O:72][C@@H:53]1[C@H:49]([OH:57])[C@H:51]([O:70][P:73]([OH:59])([OH:60])=[O:61])[C@@H:48]([OH:56])[C@H:52]([O:71][P:74]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58])[O:69][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:55] |
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