| Properties | Image |
MNX_ID | MNXM360040 |
 |
reference | slm:000013053 |
formula | C51H92NO8P |
global charge | 0 |
mol weight | 878.27 |
InChIKey | HXAQDRKRVMYVHN-KBZHFLOTSA-N |
InChI | InChI=1S/C51H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27-28,49H,6-7,9,11-13,15,17-19,21,23,26,29-48H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,28-27-/t49-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C51H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27-28,49H,6-7,9,11-13,15,17-19,21,23,26,29-48H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,28-27-/t49-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:51](=[O:54])[O:60][C@H:49]([CH2:47][O:57][C:50]([CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:53])[CH2:48][O:59][P:61](=[O:55])([O-:56])[O:58][CH2:46][CH2:45][N+:52]([CH3:3])([CH3:4])[CH3:5] |
|