| Properties | Image |
|---|
| MNX_ID | MNXM336462 |
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| reference | slm:000475503 |
| formula | C58H103O13P2 |
| global charge | -3 |
| mol weight | 1070.397 |
| InChIKey | OJYQJOXFBYFMTQ-NWTKEPBNSA-K |
| InChI | InChI=1S/C58H106O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-58(61)71-56(54-70-73(65,66)69-52-55(59)51-68-72(62,63)64)53-67-57(60)49-47-45-43-41-39-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,55-56,59H,3-9,14-15,18,21,24-54H2,1-2H3,(H,65,66)(H2,62,63,64)/p-3/b12-10-,13-11-,17-16-,20-19-,23-22-/t55-,56+/m0/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H106O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-58(61)71-56(54-70-73(65,66)69-52-55(59)51-68-72(62,63)64)53-67-57(60)49-47-45-43-41-39-14-12-10-8-6-4-2/h10-13,16-17,19-20,22-23,55-56,59H,3-9,14-15,18,21,24-54H2,1-2H3,(H,65,66)(H2,62,63,64)/b12-10-,13-11-,17-16-,20-19-,23-22-/t55-,56+/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][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:58](=[O:61])[O:71][C@H:56]([CH2:53][O:67][C:57]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:14]/[CH:12]=[CH:10]\[CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:54][O:70][P:73]([OH:65])(=[O:66])[O:69][CH2:52][C@H:55]([CH2:51][O:68][P:72]([OH:62])([OH:63])=[O:64])[OH:59] |
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