N-nonadecanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Properties Image MNX_ID MNXM107105 reference chebi:70898 formula C41H85N2O7P global charge 0 mol weight 749.112 InChIKey KRBVDOLQRWSSMS-CUVPNIRJSA-N InChI InChI=1S/C41H85N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-40(45)42-38(36-50-51(47,48)49-35-34-43(4,5)6)41(46)39(44)32-29-26-23-21-20-22-25-28-31-37(2)3/h37-39,41,44,46H,7-36H2,1-6H3,(H-,42,45,47,48)/t38-,39+,41-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C41H85N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-24-27-30-33-40(45)42-38(36-50-51(47,48)49-35-34-43(4,5)6)41(46)39(44)32-29-26-23-21-20-22-25-28-31-37(2)3/h37-39,41,44,46H,7-36H2,1-6H3,(H-,42,45,47,48)/t38-,39+,41-/m0/s1 SMILES (mnx) [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:24][CH2:27][CH2:30][CH2:33][C:40](=[N:42][C@@H:38]([CH2:36][O:50][P:51]([O-:47])(=[O:48])[O:49][CH2:35][CH2:34][N+:43]([CH3:4])([CH3:5])[CH3:6])[C@@H:41]([C@@H:39]([CH2:32][CH2:29][CH2:26][CH2:23][CH2:21][CH2:20][CH2:22][CH2:25][CH2:28][CH2:31][CH:37]([CH3:2])[CH3:3])[OH:44])[OH:46])[OH:45]

Parent-child relations graph

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