| Properties | Image |
|---|
| MNX_ID | MNXM201105 |
 |
| reference | slm:000452373 |
| formula | C49H81O16P2 |
| global charge | -3 |
| mol weight | 988.119 |
| InChIKey | JISXYWBWYFOABT-WVGLHYKISA-K |
| InChI | InChI=1S/C49H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)61-39-41(40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58)63-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,41,44-49,52-55H,3-5,7,9-10,15-16,21-23,25,27-40H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t41-,44+,45+,46-,47-,48-,49+/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/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/C49H84O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)61-39-41(40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58)63-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,24,26,41,44-49,52-55H,3-5,7,9-10,15-16,21-23,25,27-40H2,1-2H3,(H,59,60)(H2,56,57,58)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/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]\[CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:61][CH2:39][C@H:41]([CH2:40][O:62][P:67]([OH:59])(=[O:60])[O:65][C@H:49]1[C@H:46]([OH:54])[C@@H:44]([OH:52])[C@H:45]([OH:53])[C@@H:48]([O:64][P:66]([OH:56])([OH:57])=[O:58])[C@H:47]1[OH:55])[O:63][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:51] |
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