| Properties | Image |
|---|
| MNX_ID | MNXM111746 |
 |
| reference | lipidmapsM:LMGL03015357 |
| formula | C51H96O6 |
| global charge | 0 |
| mol weight | 805.323 |
| InChIKey | SQCVRGXRRQLDSC-KEZPGYJSSA-N |
| InChI | InChI=1S/C51H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-24-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,48H,4-17,19-20,22-47H2,1-3H3/b21-18-/t48-/m1/s1 |
| SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C51H96O6/c1-4-7-10-13-16-19-22-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-24-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,48H,4-17,19-20,22-47H2,1-3H3/b21-18-/t48-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54] |
|