| Properties | Image |
|---|
| MNX_ID | MNXM109344 |
 |
| reference | lipidmapsM:LMGL03013243 |
| formula | C46H84O6 |
| global charge | 0 |
| mol weight | 733.172 |
| InChIKey | CEXAFTBJMQVSSW-TYFUCJICSA-N |
| InChI | InChI=1S/C46H84O6/c1-4-7-10-13-16-19-21-22-23-25-27-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)52-46(49)40-37-34-31-28-24-20-17-14-11-8-5-2/h14,17,21-22,43H,4-13,15-16,18-20,23-42H2,1-3H3/b17-14-,22-21-/t43-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C46H84O6/c1-4-7-10-13-16-19-21-22-23-25-27-30-33-36-39-45(48)51-42-43(41-50-44(47)38-35-32-29-26-18-15-12-9-6-3)52-46(49)40-37-34-31-28-24-20-17-14-11-8-5-2/h14,17,21-22,43H,4-13,15-16,18-20,23-42H2,1-3H3/b17-14-,22-21-/t43-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19]/[CH:21]=[CH:22]\[CH2:23][CH2:25][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][C:45](=[O:48])[O:51][CH2:42][C@@H:43]([CH2:41][O:50][C:44]([CH2:38][CH2:35][CH2:32][CH2:29][CH2:26][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:47])[O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:24][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:49] |
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