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

Properties Image MNX_ID MNXM107112 reference chebi:70955 formula C50H103N2O7P global charge 0 mol weight 875.355 InChIKey PGHYEQDODATLLZ-ITVUJDHZSA-N InChI InChI=1S/C50H103N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-36-39-42-49(54)51-47(45-59-60(56,57)58-44-43-52(4,5)6)50(55)48(53)41-38-35-32-30-29-31-34-37-40-46(2)3/h46-48,50,53,55H,7-45H2,1-6H3,(H-,51,54,56,57)/t47-,48+,50-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C50H103N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-36-39-42-49(54)51-47(45-59-60(56,57)58-44-43-52(4,5)6)50(55)48(53)41-38-35-32-30-29-31-34-37-40-46(2)3/h46-48,50,53,55H,7-45H2,1-6H3,(H-,51,54,56,57)/t47-,48+,50-/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][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:33][CH2:36][CH2:39][CH2:42][C:49](=[N:51][C@@H:47]([CH2:45][O:59][P:60]([O-:56])(=[O:57])[O:58][CH2:44][CH2:43][N+:52]([CH3:4])([CH3:5])[CH3:6])[C@@H:50]([C@@H:48]([CH2:41][CH2:38][CH2:35][CH2:32][CH2:30][CH2:29][CH2:31][CH2:34][CH2:37][CH2:40][CH:46]([CH3:2])[CH3:3])[OH:53])[OH:55])[OH:54]

Parent-child relations graph

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