| Properties | Image |
|---|
| MNX_ID | MNXM112002 |
 |
| reference | lipidmapsM:LMGL03012966 |
| formula | C56H102O6 |
| global charge | 0 |
| mol weight | 871.426 |
| InChIKey | VFTJTKCHAHIZBK-BPLNPYBDSA-N |
| InChI | InChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h18,21,27-30,53H,4-17,19-20,22-26,31-52H2,1-3H3/b21-18-,29-27-,30-28-/t53-/m1/s1 |
| SMILES | CCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h18,21,27-30,53H,4-17,19-20,22-26,31-52H2,1-3H3/b21-18-,29-27-,30-28-/t53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25]/[CH:27]=[CH:29]\[CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][C@@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57])[O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:30]=[CH:28]\[CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
|