N-(tetradecanoyl)-sphing-4-enine-1-(2-aminoethylphosphonate)

Properties Image MNX_ID MNXM27501 reference lipidmapsM:LMSP04000001 formula C34H69N2O5P global charge 0 mol weight 616.909 InChIKey RLFHFEZNEPOFGM-DMVJVELGSA-N InChI InChI=1S/C34H69N2O5P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-33(37)32(31-41-42(39,40)30-29-35)36-34(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,32-33,37H,3-24,26,28-31,35H2,1-2H3,(H,36,38)(H,39,40)/b27-25+/t32-,33+/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)CCN)NC(=O)CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C34H69N2O5P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-33(37)32(31-41-42(39,40)30-29-35)36-34(38)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,32-33,37H,3-24,26,28-31,35H2,1-2H3,(H,36,38)(H,39,40)/b27-25+/t32-,33+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23]/[CH:25]=[CH:27]/[C@H:33]([C@H:32]([CH2:31][O:41][P:42]([CH2:30][CH2:29][NH2:35])([OH:39])=[O:40])[N:36]=[C:34]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:38])[OH:37]

Parent-child relations graph

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