| Properties | Image |
|---|
| MNX_ID | MNXM335580 |
 |
| reference | slm:000456281 |
| formula | C49H81O16P2 |
| global charge | -3 |
| mol weight | 988.119 |
| InChIKey | CCGLYWNSOKMRRZ-SIVBVAJKSA-K |
| InChI | InChI=1S/C49H84O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(51)63-41(39-61-42(50)37-35-33-31-29-27-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58/h5,7,10-13,16-17,19-20,22-23,41,44-49,52-55H,3-4,6,8-9,14-15,18,21,24-40H2,1-2H3,(H,59,60)(H2,56,57,58)/p-3/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/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\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)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/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-43(51)63-41(39-61-42(50)37-35-33-31-29-27-14-12-10-8-6-4-2)40-62-67(59,60)65-49-46(54)44(52)45(53)48(47(49)55)64-66(56,57)58/h5,7,10-13,16-17,19-20,22-23,41,44-49,52-55H,3-4,6,8-9,14-15,18,21,24-40H2,1-2H3,(H,59,60)(H2,56,57,58)/b7-5-,12-10-,13-11-,17-16-,20-19-,23-22-/t41-,44+,45+,46-,47-,48-,49+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:43](=[O:51])[O:63][C@H:41]([CH2:39][O:61][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:50])[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] |
|