| Properties | Image |
|---|
| MNX_ID | MNXM216693 |
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| reference | slm:000446461 |
| formula | C49H82O19P3 |
| global charge | -5 |
| mol weight | 1068.098 |
| InChIKey | PEIPXBHHUODEFU-WLJRUSQGSA-I |
| InChI | InChI=1S/C49H87O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-29-12-10-8-6-4-2)40-64-71(61,62)68-49-45(53)47(66-69(55,56)57)44(52)48(46(49)54)67-70(58,59)60/h5,7,11,13,15-16,18-19,21-22,41,44-49,52-54H,3-4,6,8-10,12,14,17,20,23-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/p-5/b7-5-,13-11-,16-15-,19-18-,22-21-/t41-,44-,45-,46-,47-,48+,49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H87O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-42(50)63-39-41(65-43(51)38-36-34-32-29-12-10-8-6-4-2)40-64-71(61,62)68-49-45(53)47(66-69(55,56)57)44(52)48(46(49)54)67-70(58,59)60/h5,7,11,13,15-16,18-19,21-22,41,44-49,52-54H,3-4,6,8-10,12,14,17,20,23-40H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/b7-5-,13-11-,16-15-,19-18-,22-21-/t41-,44-,45-,46-,47-,48+,49-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:63][CH2:39][C@H:41]([CH2:40][O:64][P:71]([OH:61])(=[O:62])[O:68][C@@H:49]1[C@H:45]([OH:53])[C@H:47]([O:66][P:69]([OH:55])([OH:56])=[O:57])[C@@H:44]([OH:52])[C@H:48]([O:67][P:70]([OH:58])([OH:59])=[O:60])[C@H:46]1[OH:54])[O:65][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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