| Properties | Image |
|---|
| MNX_ID | MNXM70935 |
 |
| reference | lipidmapsM:LMGP01020224 |
| formula | C45H90NO7P |
| global charge | 0 |
| mol weight | 788.189 |
| InChIKey | SZGPFZUEONKDNC-NBTXLFQMSA-N |
| InChI | InChI=1S/C45H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46(3,4)5)53-45(47)38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h19,21,44H,6-18,20,22-43H2,1-5H3/b21-19-/t44-/m1/s1 |
| SMILES | CCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C45H90NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46(3,4)5)53-45(47)38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h19,21,44H,6-18,20,22-43H2,1-5H3/b21-19-/t44-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:40][O:50][CH2:42][C@H:44]([CH2:43][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:41][CH2:39][N+:46]([CH3:3])([CH3:4])[CH3:5])[O:53][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:21]=[CH:19]\[CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:47] |
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