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

Properties Image MNX_ID MNXM107101 reference chebi:71084 formula C42H81NO8 global charge 0 mol weight 728.109 InChIKey UHTIFZGXWNINTO-DGCBLEKZSA-N InChI InChI=1S/C42H81NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-38(46)43-35(33-50-42-41(49)40(48)39(47)37(32-44)51-42)36(45)30-27-24-21-18-16-17-20-23-26-29-34(2)3/h27,30,34-37,39-42,44-45,47-49H,4-26,28-29,31-33H2,1-3H3,(H,43,46)/b30-27+/t35-,36+,37+,39+,40-,41+,42+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCC(=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/C42H81NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-38(46)43-35(33-50-42-41(49)40(48)39(47)37(32-44)51-42)36(45)30-27-24-21-18-16-17-20-23-26-29-34(2)3/h27,30,34-37,39-42,44-45,47-49H,4-26,28-29,31-33H2,1-3H3,(H,43,46)/b30-27+/t35-,36+,37+,39+,40-,41+,42+/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][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][C:38](=[N:43][C@@H:35]([CH2:33][O:50][C@H:42]1[C@H:41]([OH:49])[C@@H:40]([OH:48])[C@H:39]([OH:47])[C@@H:37]([CH2:32][OH:44])[O:51]1)[C@@H:36](/[CH:30]=[CH:27]/[CH2:24][CH2:21][CH2:18][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH:34]([CH3:2])[CH3:3])[OH:45])[OH:46]

Parent-child relations graph

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