N-(2-hydroxyhenicosanoyl)-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Properties Image MNX_ID MNXM106886 reference chebi:70920 formula C43H89N2O8P global charge 0 mol weight 793.165 InChIKey SSSWELGGYPDTBY-DGJMNPOFSA-N InChI InChI=1S/C43H89N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(47)43(49)44-39(37-53-54(50,51)52-36-35-45(4,5)6)42(48)40(46)33-30-27-24-22-21-23-26-29-32-38(2)3/h38-42,46-48H,7-37H2,1-6H3,(H-,44,49,50,51)/t39-,40+,41?,42-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCC(O)C(=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/C43H89N2O8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(47)43(49)44-39(37-53-54(50,51)52-36-35-45(4,5)6)42(48)40(46)33-30-27-24-22-21-23-26-29-32-38(2)3/h38-42,46-48H,7-37H2,1-6H3,(H-,44,49,50,51)/t39-,40+,41?,42-/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][CH2:20][CH2:25][CH2:28][CH2:31][CH2:34][CH:41]([C:43](=[N:44][C@@H:39]([CH2:37][O:53][P:54]([O-:50])(=[O:51])[O:52][CH2:36][CH2:35][N+:45]([CH3:4])([CH3:5])[CH3:6])[C@@H:42]([C@@H:40]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:22][CH2:21][CH2:23][CH2:26][CH2:29][CH2:32][CH:38]([CH3:2])[CH3:3])[OH:46])[OH:48])[OH:49])[OH:47]

Parent-child relations graph

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