N-icosanoyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

Properties Image MNX_ID MNXM107088 reference chebi:71100 formula C43H85NO9 global charge 0 mol weight 760.151 InChIKey PPGTUXQUUKJAAY-PRMXXTTFSA-N InChI InChI=1S/C43H85NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-38(47)44-35(33-52-43-42(51)41(50)40(49)37(32-45)53-43)39(48)36(46)30-27-24-21-19-18-20-23-26-29-34(2)3/h34-37,39-43,45-46,48-51H,4-33H2,1-3H3,(H,44,47)/t35-,36+,37+,39-,40+,41-,42+,43+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C43H85NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-38(47)44-35(33-52-43-42(51)41(50)40(49)37(32-45)53-43)39(48)36(46)30-27-24-21-19-18-20-23-26-29-34(2)3/h34-37,39-43,45-46,48-51H,4-33H2,1-3H3,(H,44,47)/t35-,36+,37+,39-,40+,41-,42+,43+/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:25][CH2:28][CH2:31][C:38](=[N:44][C@@H:35]([CH2:33][O:52][C@H:43]1[C@H:42]([OH:51])[C@@H:41]([OH:50])[C@H:40]([OH:49])[C@@H:37]([CH2:32][OH:45])[O:53]1)[C@@H:39]([C@@H:36]([CH2:30][CH2:27][CH2:24][CH2:21][CH2:19][CH2:18][CH2:20][CH2:23][CH2:26][CH2:29][CH:34]([CH3:2])[CH3:3])[OH:46])[OH:48])[OH:47]

Parent-child relations graph

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