| Properties | Image |
|---|
| MNX_ID | MNXM301408 |
 |
| reference | slm:000449107 |
| formula | C53H90O19P3 |
| global charge | -5 |
| mol weight | 1124.206 |
| InChIKey | JMDRKJWQDTUEFG-FSHKQWMCSA-I |
| InChI | InChI=1S/C53H95O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(55)69-45(43-67-46(54)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2)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/h6,8,12,14,17-20,27,29,45,48-53,56-58H,3-5,7,9-11,13,15-16,21-26,28,30-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/p-5/b8-6-,14-12-,19-17-,20-18-,29-27-/t45-,48-,49-,50-,51-,52+,53-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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)CCCCCCCCCCCCC/C=C\CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H95O19P3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(55)69-45(43-67-46(54)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2)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/h6,8,12,14,17-20,27,29,45,48-53,56-58H,3-5,7,9-11,13,15-16,21-26,28,30-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b8-6-,14-12-,19-17-,20-18-,29-27-/t45-,48-,49-,50-,51-,52+,53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:69][C@H:45]([CH2:43][O:67][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:25]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:54])[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] |
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