| Properties | Image |
|---|
| MNX_ID | MNXM70944 |
 |
| reference | lipidmapsM:LMGP01020233 |
| formula | C47H94NO7P |
| global charge | 0 |
| mol weight | 816.243 |
| InChIKey | DHBNLJVVESYMEQ-ZEFNTAAXSA-N |
| InChI | InChI=1S/C47H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-52-44-46(45-54-56(50,51)53-43-41-48(3,4)5)55-47(49)40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h23,26,46H,6-22,24-25,27-45H2,1-5H3/b26-23-/t46-/m1/s1 |
| SMILES | CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C47H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-52-44-46(45-54-56(50,51)53-43-41-48(3,4)5)55-47(49)40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h23,26,46H,6-22,24-25,27-45H2,1-5H3/b26-23-/t46-/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][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:42][O:52][CH2:44][C@H:46]([CH2:45][O:54][P:56](=[O:50])([O-:51])[O:53][CH2:43][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[O:55][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28]/[CH:26]=[CH:23]\[CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:49] |
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