| Properties | Image |
|---|
| MNX_ID | MNXM111450 |
 |
| reference | lipidmapsM:LMGL03015106 |
| formula | C53H92O6 |
| global charge | 0 |
| mol weight | 825.313 |
| InChIKey | ZIWKXBCJRSCKRW-KDKLRBOFSA-N |
| InChI | InChI=1S/C53H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,34,50H,4-13,15,18,20-22,24,28-30,32-33,35-49H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,34-31-/t50-/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)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C53H92O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-24-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-28-26-23-20-17-14-11-8-5-2/h14,16-17,19,23,25-27,31,34,50H,4-13,15,18,20-22,24,28-30,32-33,35-49H2,1-3H3/b17-14-,19-16-,26-23-,27-25-,34-31-/t50-/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]\[CH2:29]/[CH:31]=[CH:34]\[CH2:37][CH2:40][CH2:43][CH2:46][C:52](=[O:55])[O:58][CH2:49][C@@H:50]([CH2:48][O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:54])[O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:28]/[CH:26]=[CH:23]\[CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:56] |
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