| Properties | Image |
|---|
| MNX_ID | MNXM112522 |
 |
| reference | lipidmapsM:LMGL03016071 |
| formula | C56H94O6 |
| global charge | 0 |
| mol weight | 863.362 |
| InChIKey | KESVXUCQHYNVIV-PACVBNFTSA-N |
| InChI | InChI=1S/C56H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34,37,53H,4-14,21-23,30-33,35-36,38-52H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-/t53-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C56H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h15-20,24-29,34,37,53H,4-14,21-23,30-33,35-36,38-52H2,1-3H3/b18-15-,19-16-,20-17-,27-24-,28-25-,29-26-,37-34-/t53-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:34]=[CH: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][CH2:30]/[CH:27]=[CH:24]\[CH2:21]/[CH:18]=[CH: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:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59] |
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