SM(d18:2(4E,14Z)/23:1(9Z))

Properties Image MNX_ID MNXM1130072 reference hmdb:HMDB0240668 formula C46H89N2O6P global charge 0 mol weight 797.2 InChIKey PUTLJICFLAOKRD-BHWNGCFYSA-N InChI InChI=1S/C46H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h11,13,25-26,37,39,44-45,49H,6-10,12,14-24,27-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b13-11-,26-25-,39-37+/t44-,45+/m0/s1 SMILES CCC/C=C\CCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCC/C=C\CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C46H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h11,13,25-26,37,39,44-45,49H,6-10,12,14-24,27-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b13-11-,26-25-,39-37+/t44-,45+/m0/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]/[CH:25]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:46](=[N:47][C@@H:44]([CH2:43][O:54][P:55]([O-:51])(=[O:52])[O:53][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[C@@H:45](/[CH:39]=[CH:37]/[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:19][CH2:17][CH2:15]/[CH:13]=[CH:11]\[CH2:9][CH2:7][CH3:2])[OH:49])[OH:50]

Parent-child relations graph

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