| Properties | Image |
|---|
| MNX_ID | MNXM110639 |
 |
| reference | lipidmapsM:LMGL03014404 |
| formula | C54H96O6 |
| global charge | 0 |
| mol weight | 841.356 |
| InChIKey | SMOSELRMHITNFO-GYJXAVMJSA-N |
| InChI | InChI=1S/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,51H,4-16,18-19,21-24,29-32,34-35,37-50H2,1-3H3/b20-17-,27-25-,28-26-,36-33-/t51-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O6/c1-4-7-10-13-16-19-22-24-26-28-29-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-30-27-25-23-20-17-14-11-8-5-2/h17,20,25-28,33,36,51H,4-16,18-19,21-24,29-32,34-35,37-50H2,1-3H3/b20-17-,27-25-,28-26-,36-33-/t51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24]/[CH:26]=[CH:28]\[CH2:29][CH2:32][CH2:35][CH2:38][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][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:55])[O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:33]\[CH2:30]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:57] |
|