| Properties | Image |
|---|
| MNX_ID | MNXM111466 |
 |
| reference | lipidmapsM:LMGL03015122 |
| formula | C57H98O6 |
| global charge | 0 |
| mol weight | 879.405 |
| InChIKey | PXGRKIRDQNDCHI-GRKDPZSQSA-N |
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,29-30,33,35,54H,4-13,15,18,20-22,24,28,31-32,34,36-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,30-29-,35-33-/t54-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-32-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,29-30,33,35,54H,4-13,15,18,20-22,24,28,31-32,34,36-53H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,30-29-,35-33-/t54-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:33]=[CH:35]\[CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][CH2:53][C@@H:54]([CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])[O:63][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32]/[CH:26]=[CH:23]\[CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:60] |
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