| Properties | Image |
|---|
| MNX_ID | MNXM299003 |
 |
| reference | slm:000436186 |
| formula | C53H83O16P2 |
| global charge | -3 |
| mol weight | 1038.179 |
| InChIKey | XFCZQKMWGCMSAO-CERRWNESSA-K |
| InChI | InChI=1S/C53H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-46(54)65-43-45(67-47(55)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h5-8,11-14,17-19,21-22,24-25,27-29,45,48-53,56-59H,3-4,9-10,15-16,20,23,26,30-44H2,1-2H3,(H,63,64)(H2,60,61,62)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,27-18-,29-28-/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\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](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
MNX internals
| InChI (mnx) | InChI=1/C53H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-29-31-33-35-37-39-41-46(54)65-43-45(67-47(55)42-40-38-36-34-32-30-27-18-16-14-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h5-8,11-14,17-19,21-22,24-25,27-29,45,48-53,56-59H,3-4,9-10,15-16,20,23,26,30-44H2,1-2H3,(H,63,64)(H2,60,61,62)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,27-18-,29-28-/t45-,48-,49-,50-,51-,52+,53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH: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:29]\[CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:46](=[O:54])[O:65][CH2:43][C@H:45]([CH2:44][O:66][P:71]([OH:63])(=[O:64])[O:69][C@@H:53]1[C@H:50]([OH:58])[C@H:48]([OH:56])[C@@H:49]([OH:57])[C@H:52]([O:68][P:70]([OH:60])([OH:61])=[O:62])[C@H:51]1[OH:59])[O:67][C:47]([CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30]/[CH:27]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:55] |
|