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

Properties Image MNX_ID MNXM107102 reference chebi:71093 formula C42H83NO9 global charge 0 mol weight 746.124 InChIKey GNDAWRIPFRTTPN-XCGRTIOMSA-N InChI InChI=1S/C42H83NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-30-37(46)43-34(32-51-42-41(50)40(49)39(48)36(31-44)52-42)38(47)35(45)29-26-23-20-18-17-19-22-25-28-33(2)3/h33-36,38-42,44-45,47-50H,4-32H2,1-3H3,(H,43,46)/t34-,35+,36+,38-,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@H](O)CCCCCCCCCCC(C)C MNX internals InChI (mnx) InChI=1/C42H83NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-30-37(46)43-34(32-51-42-41(50)40(49)39(48)36(31-44)52-42)38(47)35(45)29-26-23-20-18-17-19-22-25-28-33(2)3/h33-36,38-42,44-45,47-50H,4-32H2,1-3H3,(H,43,46)/t34-,35+,36+,38-,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][CH2:16][CH2:21][CH2:24][CH2:27][CH2:30][C:37](=[N:43][C@@H:34]([CH2:32][O:51][C@H:42]1[C@H:41]([OH:50])[C@@H:40]([OH:49])[C@H:39]([OH:48])[C@@H:36]([CH2:31][OH:44])[O:52]1)[C@@H:38]([C@@H:35]([CH2:29][CH2:26][CH2:23][CH2:20][CH2:18][CH2:17][CH2:19][CH2:22][CH2:25][CH2:28][CH:33]([CH3:2])[CH3:3])[OH:45])[OH:47])[OH:46]

Parent-child relations graph

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