| Properties | Image |
|---|
| MNX_ID | MNXM957391 |
 |
| reference | slm:000649776 |
| formula | C56H97NO9P |
| global charge | -1 |
| mol weight | 959.364 |
| InChIKey | ZRSOILGHIXORIQ-FWFAYYLKSA-M |
| InChI | InChI=1S/C56H98NO9P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-34-38-42-46-55(59)63-50-53(66-56(60)47-43-39-35-31-32-36-40-44-52(3)4)51-65-67(61,62)64-49-48-57-54(58)45-41-37-33-29-27-25-23-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-24,26-27,29,52-53H,5-12,17-18,22,25,28,30-51H2,1-4H3,(H,57,58)(H,61,62)/p-1/b15-13-,16-14-,21-19-,23-20-,26-24-,29-27-/t53-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C56H98NO9P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-34-38-42-46-55(59)63-50-53(66-56(60)47-43-39-35-31-32-36-40-44-52(3)4)51-65-67(61,62)64-49-48-57-54(58)45-41-37-33-29-27-25-23-20-18-16-14-12-10-8-6-2/h13-16,19-21,23-24,26-27,29,52-53H,5-12,17-18,22,25,28,30-51H2,1-4H3,(H,57,58)(H,61,62)/b15-13-,16-14-,21-19-,23-20-,26-24-,29-27-/t53-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][C:55](=[O:59])[O:63][CH2:50][C@H:53]([CH2:51][O:65][P:67]([OH:61])(=[O:62])[O:64][CH2:49][CH2:48][N:57]=[C:54]([CH2:45][CH2:41][CH2:37][CH2:33]/[CH:29]=[CH:27]\[CH2:25]/[CH:23]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:58])[O:66][C:56]([CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH:52]([CH3:3])[CH3:4])=[O:60] |
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