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

Properties Image MNX_ID MNXM107063 reference chebi:71141 formula C49H97NO9 global charge 0 mol weight 844.313 InChIKey AVQKKJJUUDPXAM-CZHWGONZSA-N InChI InChI=1S/C49H97NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(53)50-41(39-58-49-48(57)47(56)46(55)43(38-51)59-49)45(54)42(52)36-33-30-27-25-24-26-29-32-35-40(2)3/h40-43,45-49,51-52,54-57H,4-39H2,1-3H3,(H,50,53)/t41-,42+,43+,45-,46+,47-,48+,49+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C49H97NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-44(53)50-41(39-58-49-48(57)47(56)46(55)43(38-51)59-49)45(54)42(52)36-33-30-27-25-24-26-29-32-35-40(2)3/h40-43,45-49,51-52,54-57H,4-39H2,1-3H3,(H,50,53)/t41-,42+,43+,45-,46+,47-,48+,49+/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][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:28][CH2:31][CH2:34][CH2:37][C:44](=[N:50][C@@H:41]([CH2:39][O:58][C@H:49]1[C@H:48]([OH:57])[C@@H:47]([OH:56])[C@H:46]([OH:55])[C@@H:43]([CH2:38][OH:51])[O:59]1)[C@@H:45]([C@@H:42]([CH2:36][CH2:33][CH2:30][CH2:27][CH2:25][CH2:24][CH2:26][CH2:29][CH2:32][CH2:35][CH:40]([CH3:2])[CH3:3])[OH:52])[OH:54])[OH:53]

Parent-child relations graph

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