| Properties | Image |
|---|
| MNX_ID | MNXM109880 |
 |
| reference | lipidmapsM:LMGL03013716 |
| formula | C49H90O6 |
| global charge | 0 |
| mol weight | 775.253 |
| InChIKey | SJQZJQPXFFNDSO-XDCXHDHKSA-N |
| InChI | InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h14,17,24-25,46H,4-13,15-16,18-23,26-45H2,1-3H3/b17-14-,25-24-/t46-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-26-28-30-33-36-39-42-48(51)54-45-46(44-53-47(50)41-38-35-32-29-21-18-15-12-9-6-3)55-49(52)43-40-37-34-31-27-20-17-14-11-8-5-2/h14,17,24-25,46H,4-13,15-16,18-23,26-45H2,1-3H3/b17-14-,25-24-/t46-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:27][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:52] |
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