| Properties | Image |
|---|
| MNX_ID | MNXM320543 |
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| reference | slm:000436739 |
| formula | C51H83O16P2 |
| global charge | -3 |
| mol weight | 1014.157 |
| InChIKey | RESFUXMNUOOAEG-XXZFPHOYSA-K |
| InChI | InChI=1S/C51H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(53)65-43(41-63-44(52)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60/h6,8,11-14,17-19,21-22,24-26,43,46-51,54-57H,3-5,7,9-10,15-16,20,23,27-42H2,1-2H3,(H,61,62)(H2,58,59,60)/p-3/b8-6-,13-11-,14-12-,19-17-,22-21-,25-18-,26-24-/t43-,46-,47-,48-,49-,50+,51-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H86O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-40-45(53)65-43(41-63-44(52)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2)42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60/h6,8,11-14,17-19,21-22,24-26,43,46-51,54-57H,3-5,7,9-10,15-16,20,23,27-42H2,1-2H3,(H,61,62)(H2,58,59,60)/b8-6-,13-11-,14-12-,19-17-,22-21-,25-18-,26-24-/t43-,46-,47-,48-,49-,50+,51-/m1/s1 |
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| 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:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:45](=[O:53])[O:65][C@H:43]([CH2:41][O:63][C:44]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27]/[CH:25]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:52])[CH2:42][O:64][P:69]([OH:61])(=[O:62])[O:67][C@@H:51]1[C@H:48]([OH:56])[C@H:46]([OH:54])[C@@H:47]([OH:55])[C@H:50]([O:66][P:68]([OH:58])([OH:59])=[O:60])[C@H:49]1[OH:57] |
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