| Properties | Image |
|---|
| MNX_ID | MNXM185223 |
 |
| reference | slm:000451923 |
| formula | C49H87O16P2 |
| global charge | -3 |
| mol weight | 994.167 |
| InChIKey | CQGWPKVWIJIDIW-SALZPPMISA-K |
| InChI | InChI=1S/C49H90O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)61-39-41(63-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58/h11,13,17,19,21-22,41,44-49,52-55H,3-10,12,14-16,18,20,23-40H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b13-11-,19-17-,22-21-/t41-,44+,45+,46-,47-,48-,49+/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=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)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)61-39-41(63-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58/h11,13,17,19,21-22,41,44-49,52-55H,3-10,12,14-16,18,20,23-40H2,1-2H3,(H,59,60)(H2,56,57,58)/b13-11-,19-17-,22-21-/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][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][CH2:26][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51] |
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