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

Properties Image MNX_ID MNXM107119 reference chebi:70891 formula C40H83N2O7P global charge 0 mol weight 735.085 InChIKey FFBLTPOQVUBIBU-HIERITDVSA-N InChI InChI=1S/C40H83N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39(44)41-37(35-49-50(46,47)48-34-33-42(4,5)6)40(45)38(43)31-28-25-22-20-19-21-24-27-30-36(2)3/h36-38,40,43,45H,7-35H2,1-6H3,(H-,41,44,46,47)/t37-,38+,40-/m0/s1 SMILES CCCCCCCCCCCCCCCCCC(=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/C40H83N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-39(44)41-37(35-49-50(46,47)48-34-33-42(4,5)6)40(45)38(43)31-28-25-22-20-19-21-24-27-30-36(2)3/h36-38,40,43,45H,7-35H2,1-6H3,(H-,41,44,46,47)/t37-,38+,40-/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][CH2:23][CH2:26][CH2:29][CH2:32][C:39](=[N:41][C@@H:37]([CH2:35][O:49][P:50]([O-:46])(=[O:47])[O:48][CH2:34][CH2:33][N+:42]([CH3:4])([CH3:5])[CH3:6])[C@@H:40]([C@@H:38]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:20][CH2:19][CH2:21][CH2:24][CH2:27][CH2:30][CH:36]([CH3:2])[CH3:3])[OH:43])[OH:45])[OH:44]

Parent-child relations graph

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