| Properties | Image |
|---|
| MNX_ID | MNXM111993 |
 |
| reference | lipidmapsM:LMGL03015593 |
| formula | C57H98O6 |
| global charge | 0 |
| mol weight | 879.405 |
| InChIKey | FCVDMIVWUWTADV-UNJIADJWSA-N |
| InChI | InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(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)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27,31-32,38,41,54H,4-6,8-9,11-15,17,20,22-24,26,28-30,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,21-18-,27-25-,32-31-,41-38-/t54-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-35-38-41-44-47-50-56(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)51-48-45-42-39-36-33-30-28-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27,31-32,38,41,54H,4-6,8-9,11-15,17,20,22-24,26,28-30,33-37,39-40,42-53H2,1-3H3/b10-7-,19-16-,21-18-,27-25-,32-31-,41-38-/t54-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:32]\[CH2:35]/[CH:38]=[CH: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]/[CH:21]=[CH: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][CH2:33][CH2:30][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:60] |
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