N-(2-hydroxytetracosanoyl)-sphinganine

Properties Image MNX_ID MNXM498373 reference metacycM:CPD-16356 formula C42H85NO4 global charge 0 mol weight 668.145 InChIKey DGORBCXEWSENPF-HMVVSKLPSA-N InChI InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41-/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C42H85NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(46)42(47)43-39(38-44)40(45)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h39-41,44-46H,3-38H2,1-2H3,(H,43,47)/t39-,40+,41-/m0/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C@@H:41]([C:42](=[N:43][C@@H:39]([CH2:38][OH:44])[C@@H:40]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:47])[OH:46]

Parent-child relations graph

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