| Properties | Image |
|---|
| MNX_ID | MNXM110450 |
 |
| reference | lipidmapsM:LMGL03014223 |
| formula | C50H94O6 |
| global charge | 0 |
| mol weight | 791.296 |
| InChIKey | PGYNJJCWPCAGLG-BDUYNUQCSA-N |
| InChI | InChI=1S/C50H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-25-23-20-17-14-11-8-5-2/h22,24,47H,4-21,23,25-46H2,1-3H3/b24-22-/t47-/m1/s1 |
| SMILES | CCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C50H94O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-30-27-21-18-15-12-9-6-3)56-50(53)44-41-38-35-32-29-25-23-20-17-14-11-8-5-2/h22,24,47H,4-21,23,25-46H2,1-3H3/b24-22-/t47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19]/[CH:22]=[CH:24]\[CH2:26][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][C:49](=[O:52])[O:55][CH2:46][C@@H:47]([CH2:45][O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:51])[O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:53] |
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