| Properties | Image |
|---|
| MNX_ID | MNXM320232 |
 |
| reference | slm:000468721 |
| formula | C49H78O19P3 |
| global charge | -5 |
| mol weight | 1064.066 |
| InChIKey | DPYYVKYZPVCRGP-QWYYJJOWSA-I |
| InChI | InChI=1S/C49H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h6,8,11-14,17-19,21-23,26,28,41,44-49,52-54H,3-5,7,9-10,15-16,20,24-25,27,29-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/p-5/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-,44-,45+,46+,47-,48-,49-/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](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)65-41(39-63-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2)40-64-71(61,62)68-47-44(52)45(53)48(66-69(55,56)57)49(46(47)54)67-70(58,59)60/h6,8,11-14,17-19,21-23,26,28,41,44-49,52-54H,3-5,7,9-10,15-16,20,24-25,27,29-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t41-,44-,45+,46+,47-,48-,49-/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]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:65][C@H:41]([CH2:39][O:63][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:50])[CH2:40][O:64][P:71]([OH:61])(=[O:62])[O:68][C@@H:47]1[C@H:44]([OH:52])[C@H:45]([OH:53])[C@@H:48]([O:66][P:69]([OH:55])([OH:56])=[O:57])[C@H:49]([O:67][P:70]([OH:58])([OH:59])=[O:60])[C@H:46]1[OH:54] |
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