| Properties | Image |
|---|
| MNX_ID | MNXM111761 |
 |
| reference | lipidmapsM:LMGL03015372 |
| formula | C54H94O6 |
| global charge | 0 |
| mol weight | 839.34 |
| InChIKey | PEVHBCRHUUMKCJ-JJHSYMPVSA-N |
| InChI | InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,18-19,21,25-26,28,30,35,38,51H,4-15,17,20,22-24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,21-18-,26-25-,30-28-,38-35-/t51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-24-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-23-20-17-14-11-8-5-2/h16,18-19,21,25-26,28,30,35,38,51H,4-15,17,20,22-24,27,29,31-34,36-37,39-50H2,1-3H3/b19-16-,21-18-,26-25-,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:25]=[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][CH2:24]/[CH:21]=[CH:18]\[CH2:15][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][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57] |
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