| Properties | Image |
|---|
| MNX_ID | MNXM337454 |
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| reference | slm:000041209 |
| formula | C44H76O10P |
| global charge | -1 |
| mol weight | 796.056 |
| InChIKey | PPWIKKQCUGUNQG-MABWOGHXSA-M |
| InChI | InChI=1S/C44H77O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,41-42,45-46H,3-9,14-15,18,21,24-40H2,1-2H3,(H,49,50)/p-1/b12-10-,13-11-,17-16-,20-19-,23-22-/t41-,42+/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C44H77O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,41-42,45-46H,3-9,14-15,18,21,24-40H2,1-2H3,(H,49,50)/b12-10-,13-11-,17-16-,20-19-,23-22-/t41-,42+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][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][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:44](=[O:48])[O:54][C@H:42]([CH2:39][O:51][C:43]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:47])[CH2:40][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:38][C@H:41]([CH2:37][OH:45])[OH:46] |
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