| Properties | Image |
|---|
| MNX_ID | MNXM70307 |
 |
| reference | lipidmapsM:LMGP01011957 |
| formula | C44H86NO8P |
| global charge | 0 |
| mol weight | 788.145 |
| InChIKey | YCMDMOVYTPJUDN-GCRXRFCISA-N |
| InChI | InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-19-17-15-13-11-9-7-2/h15,17,42H,6-14,16,18-41H2,1-5H3/b17-15-/t42-/m1/s1 |
| SMILES | CCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
| InChI (mnx) | InChI=1/C44H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-19-17-15-13-11-9-7-2/h15,17,42H,6-14,16,18-41H2,1-5H3/b17-15-/t42-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:43](=[O:46])[O:50][CH2:40][C@H:42]([CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:53][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:47] |
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