| Properties | Image |
|---|
| MNX_ID | MNXM109415 |
 |
| reference | lipidmapsM:LMGL03013312 |
| formula | C50H86O6 |
| global charge | 0 |
| mol weight | 783.232 |
| InChIKey | XHWZBECNWSSHDK-XBQSHKBVSA-N |
| InChI | InChI=1S/C50H86O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-22-20-17-14-11-8-5-2/h16-17,19-20,23-24,26-27,31,34,47H,4-15,18,21-22,25,28-30,32-33,35-46H2,1-3H3/b19-16-,20-17-,24-23-,27-26-,34-31-/t47-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H86O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-29-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)56-50(53)44-41-38-35-32-28-22-20-17-14-11-8-5-2/h16-17,19-20,23-24,26-27,31,34,47H,4-15,18,21-22,25,28-30,32-33,35-46H2,1-3H3/b19-16-,20-17-,24-23-,27-26-,34-31-/t47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:29]/[CH:31]=[CH:34]\[CH2:37][CH2:40][CH2:43][C:49](=[O:52])[O:55][CH2:46][C@@H:47]([CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51])[O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:28][CH2:22]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53] |
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