| Properties | Image |
|---|
| MNX_ID | MNXM223638 |
 |
| reference | slm:000015615 |
| formula | C49H86O13P |
| global charge | -1 |
| mol weight | 914.188 |
| InChIKey | SAZVNPROZJUAGN-MVPJJCIMSA-M |
| InChI | InChI=1S/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,41,44-49,52-56H,3-5,7,9-11,13,15-16,20-22,24-40H2,1-2H3,(H,57,58)/p-1/b8-6-,14-12-,19-17-,23-18-/t41-,44-,45-,46+,47-,48-,49-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C49H87O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,41,44-49,52-56H,3-5,7,9-11,13,15-16,20-22,24-40H2,1-2H3,(H,57,58)/b8-6-,14-12-,19-17-,23-18-/t41-,44-,45-,46+,47-,48-,49-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:50])[O:59][CH2:39][C@H:41]([CH2:40][O:60][P:63]([OH:57])(=[O:58])[O:62][C@@H:49]1[C@H:47]([OH:55])[C@H:45]([OH:53])[C@@H:44]([OH:52])[C@H:46]([OH:54])[C@H:48]1[OH:56])[O:61][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:51] |
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