N-henicosanoyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine

Properties Image MNX_ID MNXM107039 reference chebi:71098 formula C44H85NO8 global charge 0 mol weight 756.163 InChIKey OEHBHXGLHGNIBB-SNMNZPQYSA-N InChI InChI=1S/C44H85NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-40(48)45-37(35-52-44-43(51)42(50)41(49)39(34-46)53-44)38(47)32-29-26-23-20-18-19-22-25-28-31-36(2)3/h29,32,36-39,41-44,46-47,49-51H,4-28,30-31,33-35H2,1-3H3,(H,45,48)/b32-29+/t37-,38+,39+,41+,42-,43+,44+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C44H85NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-40(48)45-37(35-52-44-43(51)42(50)41(49)39(34-46)53-44)38(47)32-29-26-23-20-18-19-22-25-28-31-36(2)3/h29,32,36-39,41-44,46-47,49-51H,4-28,30-31,33-35H2,1-3H3,(H,45,48)/b32-29+/t37-,38+,39+,41+,42-,43+,44+/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][CH2:21][CH2:24][CH2:27][CH2:30][CH2:33][C:40](=[N:45][C@@H:37]([CH2:35][O:52][C@H:44]1[C@H:43]([OH:51])[C@@H:42]([OH:50])[C@H:41]([OH:49])[C@@H:39]([CH2:34][OH:46])[O:53]1)[C@@H:38](/[CH:32]=[CH:29]/[CH2:26][CH2:23][CH2:20][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH:36]([CH3:2])[CH3:3])[OH:47])[OH:48]

Parent-child relations graph

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