| Properties | Image |
|---|
| MNX_ID | MNXM112423 |
 |
| reference | lipidmapsM:LMGL03015980 |
| formula | C55H94O6 |
| global charge | 0 |
| mol weight | 851.351 |
| InChIKey | IYMKJTOSXQMWKG-RWRKEAAYSA-N |
| InChI | InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,23-28,33,36,52H,4-14,17,20-22,29-32,34-35,37-51H2,1-3H3/b18-15-,19-16-,26-23-,27-24-,28-25-,36-33-/t52-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H94O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-16,18-19,23-28,33,36,52H,4-14,17,20-22,29-32,34-35,37-51H2,1-3H3/b18-15-,19-16-,26-23-,27-24-,28-25-,36-33-/t52-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:36]\[CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29]/[CH:26]=[CH:23]\[CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:30]/[CH:27]=[CH:24]\[CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:58] |
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