| Properties | Image |
|---|
| MNX_ID | MNXM109508 |
 |
| reference | lipidmapsM:LMGL03013401 |
| formula | C50H88O6 |
| global charge | 0 |
| mol weight | 785.248 |
| InChIKey | HLDXAWXXQJQYRN-OMLFJCEWSA-N |
| InChI | InChI=1S/C50H88O6/c1-4-7-10-13-16-19-21-23-25-27-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-24-22-20-17-14-11-8-5-2/h7,10,16,19,22-25,47H,4-6,8-9,11-15,17-18,20-21,26-46H2,1-3H3/b10-7-,19-16-,24-22-,25-23-/t47-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H88O6/c1-4-7-10-13-16-19-21-23-25-27-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-26-24-22-20-17-14-11-8-5-2/h7,10,16,19,22-25,47H,4-6,8-9,11-15,17-18,20-21,26-46H2,1-3H3/b10-7-,19-16-,24-22-,25-23-/t47-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27][CH2:28][CH2:31][CH2:34][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][CH2:29][CH2:26]/[CH:24]=[CH:22]\[CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53] |
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