| Properties | Image |
|---|
| MNX_ID | MNXM69949 |
 |
| reference | lipidmapsM:LMGP01011782 |
| formula | C49H96NO8P |
| global charge | 0 |
| mol weight | 858.28 |
| InChIKey | QBSAWMPIONJWCR-UTHFXTSZSA-N |
| InChI | InChI=1S/C49H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h23,27,47H,6-22,24-26,28-46H2,1-5H3/b27-23-/t47-/m1/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h23,27,47H,6-22,24-26,28-46H2,1-5H3/b27-23-/t47-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:49](=[O:52])[O:58][C@H:47]([CH2:45][O:55][C:48]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29]/[CH:27]=[CH:23]\[CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:51])[CH2:46][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:44][CH2:43][N+:50]([CH3:3])([CH3:4])[CH3:5] |
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