| Properties | Image |
|---|
| MNX_ID | MNXM191362 |
 |
| reference | slm:000464772 |
| formula | C53H88O19P3 |
| global charge | -5 |
| mol weight | 1122.19 |
| InChIKey | WIDAXMHWGYTKOL-YBTPXSAYSA-I |
| InChI | InChI=1S/C53H93O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(55)69-45(43-67-46(54)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h11,13-14,16-17,19,21-22,24-25,28,30,45,48-53,56-58H,3-10,12,15,18,20,23,26-27,29,31-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/p-5/b13-11-,16-14+,19-17-,22-21-,25-24-,30-28-/t45-,48-,49+,50+,51-,52-,53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C53H93O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-47(55)69-45(43-67-46(54)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h11,13-14,16-17,19,21-22,24-25,28,30,45,48-53,56-58H,3-10,12,15,18,20,23,26-27,29,31-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b13-11-,16-14+,19-17-,22-21-,25-24-,30-28-/t45-,48-,49+,50+,51-,52-,53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:28]=[CH: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][CH2:29][CH2:27][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:44][O:68][P:75]([OH:65])(=[O:66])[O:72][C@@H:51]1[C@H:48]([OH:56])[C@H:49]([OH:57])[C@@H:52]([O:70][P:73]([OH:59])([OH:60])=[O:61])[C@H:53]([O:71][P:74]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58] |
|