| Properties | Image |
|---|
| MNX_ID | MNXM111027 |
 |
| reference | lipidmapsM:LMGL03014737 |
| formula | C54H90O6 |
| global charge | 0 |
| mol weight | 835.308 |
| InChIKey | NCUVRUBNNALAKI-CQQARBMXSA-N |
| InChI | InChI=1S/C54H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-25-23-20-17-14-11-8-5-2/h14-19,23-26,28,30,35,38,51H,4-13,20-22,27,29,31-34,36-37,39-50H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-28-,38-35-/t51-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-25-23-20-17-14-11-8-5-2/h14-19,23-26,28,30,35,38,51H,4-13,20-22,27,29,31-34,36-37,39-50H2,1-3H3/b17-14-,18-15-,19-16-,25-23-,26-24-,30-28-,38-35-/t51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:28]=[CH:30]\[CH2:32]/[CH:35]=[CH:38]\[CH2:41][CH2:44][CH2:47][C:53](=[O:56])[O:59][CH2:50][C@@H:51]([CH2:49][O:58][C:52]([CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29]/[CH:25]=[CH:23]\[CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:57] |
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