| Properties | Image |
|---|
| MNX_ID | MNXM296849 |
 |
| reference | slm:000436105 |
| formula | C55H87O16P2 |
| global charge | -3 |
| mol weight | 1066.233 |
| InChIKey | DUMDQWUKRRDARU-HYLMUGDFSA-K |
| InChI | InChI=1S/C55H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)69-47(46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64)45-67-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-28,30-31,33,47,50-55,58-61H,3-4,6,8-10,15-16,21-22,26,29,32,34-46H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,33-31-/t47-,50-,51-,52-,53-,54+,55-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)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 |
MNX internals
| InChI (mnx) | InChI=1/C55H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(57)69-47(46-68-73(65,66)71-55-52(60)50(58)51(59)54(53(55)61)70-72(62,63)64)45-67-48(56)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-25,27-28,30-31,33,47,50-55,58-61H,3-4,6,8-10,15-16,21-22,26,29,32,34-46H2,1-2H3,(H,65,66)(H2,62,63,64)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-25-,30-28-,33-31-/t47-,50-,51-,52-,53-,54+,55-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:49](=[O:57])[O:69][C@H:47]([CH2:45][O:67][C:48]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:29]/[CH:27]=[CH:25]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:46][O:68][P:73]([OH:65])(=[O:66])[O:71][C@@H:55]1[C@H:52]([OH:60])[C@H:50]([OH:58])[C@@H:51]([OH:59])[C@H:54]([O:70][P:72]([OH:62])([OH:63])=[O:64])[C@H:53]1[OH:61] |
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