| Properties | Image |
MNX_ID | MNXM342149 |
 |
reference | slm:000034923 |
formula | C29H52NO8P |
global charge | 0 |
mol weight | 573.708 |
InChIKey | QUSBHEAKUFNIGT-NXVQAEBMSA-N |
InChI | InChI=1S/C29H52NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(32)38-28(25-35-27(2)31)26-37-39(33,34)36-24-23-30/h7-8,10-11,13-14,28H,3-6,9,12,15-26,30H2,1-2H3,(H,33,34)/b8-7-,11-10-,14-13-/t28-/m1/s1 |
SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[NH3+] |
MNX internals
InChI (mnx) | InChI=1/C29H52NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(32)38-28(25-35-27(2)31)26-37-39(33,34)36-24-23-30/h7-8,10-11,13-14,28H,3-6,9,12,15-26,30H2,1-2H3,(H,33,34)/b8-7-,11-10-,14-13-/t28-/m1/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:29](=[O:32])[O:38][C@H:28]([CH2:25][O:35][C:27]([CH3:2])=[O:31])[CH2:26][O:37][P:39]([OH:33])(=[O:34])[O:36][CH2:24][CH2:23][NH2:30] |
|