| Properties | Image |
MNX_ID | MNXM70305 |
 |
reference | slm:000013027 |
formula | C43H84NO8P |
global charge | 0 |
mol weight | 774.118 |
InChIKey | JLMJHJHQZIEXTR-XTSQRIEGSA-N |
InChI | InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-17-15-13-11-9-7-2/h13,15,41H,6-12,14,16-40H2,1-5H3/b15-13-/t41-/m1/s1 |
SMILES | CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C43H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3,4)5)52-43(46)36-34-32-30-28-25-17-15-13-11-9-7-2/h13,15,41H,6-12,14,16-40H2,1-5H3/b15-13-/t41-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:45])[O:49][CH2:39][C@H:41]([CH2:40][O:51][P:53](=[O:47])([O-:48])[O:50][CH2:38][CH2:37][N+:44]([CH3:3])([CH3:4])[CH3:5])[O:52][C:43]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:17]/[CH:15]=[CH:13]\[CH2:11][CH2:9][CH2:7][CH3:2])=[O:46] |
|