| Properties | Image |
|---|
| MNX_ID | MNXM111954 |
 |
| reference | lipidmapsM:LMGL03015556 |
| formula | C55H96O6 |
| global charge | 0 |
| mol weight | 853.367 |
| InChIKey | MLNMYJCCWHRLQA-VNMCFBPASA-N |
| InChI | InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-29,52H,4-7,9-10,12-16,19,22-25,30-51H2,1-3H3/b11-8-,20-17-,21-18-,28-26-,29-27-/t52-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C55H96O6/c1-4-7-10-13-16-19-22-25-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-29,52H,4-7,9-10,12-16,19,22-25,30-51H2,1-3H3/b11-8-,20-17-,21-18-,28-26-,29-27-/t52-/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]\[CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:28]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:58] |
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