| Properties | Image |
|---|
| MNX_ID | MNXM109901 |
 |
| reference | lipidmapsM:LMGL03013736 |
| formula | C48H88O6 |
| global charge | 0 |
| mol weight | 761.226 |
| InChIKey | NKJVQWKZVRKUDJ-VTDQQLERSA-N |
| InChI | InChI=1S/C48H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h13,16,22,24,45H,4-12,14-15,17-21,23,25-44H2,1-3H3/b16-13-,24-22-/t45-/m1/s1 |
| SMILES | CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C48H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-28-21-18-15-12-9-6-3)54-48(51)42-39-36-33-30-26-23-20-17-14-11-8-5-2/h13,16,22,24,45H,4-12,14-15,17-21,23,25-44H2,1-3H3/b16-13-,24-22-/t45-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10]/[CH:13]=[CH:16]\[CH2:19]/[CH:22]=[CH:24]\[CH2:25][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][C:47](=[O:50])[O:53][CH2:44][C@@H:45]([CH2:43][O:52][C:46]([CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:49])[O:54][C:48]([CH2:42][CH2:39][CH2:36][CH2:33][CH2:30][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:51] |
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