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

Properties Image MNX_ID MNXM107074 reference chebi:71067 formula C39H75NO8 global charge 0 mol weight 686.028 InChIKey KHTYGJUWLVVTFY-NITNPBSFSA-N InChI InChI=1S/C39H75NO8/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-35(43)40-32(30-47-39-38(46)37(45)36(44)34(29-41)48-39)33(42)27-24-21-18-15-13-14-17-20-23-26-31(2)3/h24,27,31-34,36-39,41-42,44-46H,4-23,25-26,28-30H2,1-3H3,(H,40,43)/b27-24+/t32-,33+,34+,36+,37-,38+,39+/m0/s1 SMILES CCCCCCCCCCCCCCCC(=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/C39H75NO8/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-35(43)40-32(30-47-39-38(46)37(45)36(44)34(29-41)48-39)33(42)27-24-21-18-15-13-14-17-20-23-26-31(2)3/h24,27,31-34,36-39,41-42,44-46H,4-23,25-26,28-30H2,1-3H3,(H,40,43)/b27-24+/t32-,33+,34+,36+,37-,38+,39+/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][C:35](=[N:40][C@@H:32]([CH2:30][O:47][C@H:39]1[C@H:38]([OH:46])[C@@H:37]([OH:45])[C@H:36]([OH:44])[C@@H:34]([CH2:29][OH:41])[O:48]1)[C@@H:33](/[CH:27]=[CH:24]/[CH2:21][CH2:18][CH2:15][CH2:13][CH2:14][CH2:17][CH2:20][CH2:23][CH2:26][CH:31]([CH3:2])[CH3:3])[OH:42])[OH:43]

Parent-child relations graph

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