PE(16:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))

Properties Image MNX_ID MNXM71440 reference lipidmapsM:LMGP20020003 formula C43H74NO9P global charge 0 mol weight 780.037 InChIKey HHJJTYMYHYKVOT-LPUIUFANSA-N InChI InChI=1S/C43H74NO9P/c1-3-5-7-9-11-12-13-14-15-19-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-23-20-17-16-18-21-25-29-33-40(45)32-28-24-10-8-6-4-2/h6,8,16-17,21,23-25,27-29,33,40-41,45H,3-5,7,9-15,18-20,22,26,30-32,34-39,44H2,1-2H3,(H,48,49)/b8-6-,17-16-,25-21-,27-23-,28-24-,33-29+/t40?,41-/m1/s1 SMILES CC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN MNX internals InChI (mnx) InChI=1/C43H74NO9P/c1-3-5-7-9-11-12-13-14-15-19-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-23-20-17-16-18-21-25-29-33-40(45)32-28-24-10-8-6-4-2/h6,8,16-17,21,23-25,27-29,33,40-41,45H,3-5,7,9-15,18-20,22,26,30-32,34-39,44H2,1-2H3,(H,48,49)/b8-6-,17-16-,25-21-,27-23-,28-24-,33-29+/t40?,41-/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:19][CH2:22][CH2:26][CH2:30][CH2:34][C:42](=[O:46])[O:50][CH2:38][C@H:41]([CH2:39][O:52][P:54]([OH:48])(=[O:49])[O:51][CH2:37][CH2:36][NH2:44])[O:53][C:43]([CH2:35][CH2:31]/[CH:27]=[CH:23]\[CH2:20]/[CH:17]=[CH:16]\[CH2:18]/[CH:21]=[CH:25]\[CH:29]=[CH:33]\[CH:40]([CH2:32]/[CH:28]=[CH:24]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])[OH:45])=[O:47]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0