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

Properties Image MNX_ID MNXM107053 reference chebi:71079 formula C40H79NO9 global charge 0 mol weight 718.07 InChIKey XQTBPGLGUPFEGC-STYZFGKOSA-N InChI InChI=1S/C40H79NO9/c1-4-5-6-7-8-9-10-11-12-13-14-19-22-25-28-35(44)41-32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)36(45)33(43)27-24-21-18-16-15-17-20-23-26-31(2)3/h31-34,36-40,42-43,45-48H,4-30H2,1-3H3,(H,41,44)/t32-,33+,34+,36-,37+,38-,39+,40+/m0/s1 SMILES CCCCCCCCCCCCCCCCC(=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/C40H79NO9/c1-4-5-6-7-8-9-10-11-12-13-14-19-22-25-28-35(44)41-32(30-49-40-39(48)38(47)37(46)34(29-42)50-40)36(45)33(43)27-24-21-18-16-15-17-20-23-26-31(2)3/h31-34,36-40,42-43,45-48H,4-30H2,1-3H3,(H,41,44)/t32-,33+,34+,36-,37+,38-,39+,40+/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][CH2:19][CH2:22][CH2:25][CH2:28][C:35](=[N:41][C@@H:32]([CH2:30][O:49][C@H:40]1[C@H:39]([OH:48])[C@@H:38]([OH:47])[C@H:37]([OH:46])[C@@H:34]([CH2:29][OH:42])[O:50]1)[C@@H:36]([C@@H:33]([CH2:27][CH2:24][CH2:21][CH2:18][CH2:16][CH2:15][CH2:17][CH2:20][CH2:23][CH2:26][CH:31]([CH3:2])[CH3:3])[OH:43])[OH:45])[OH:44]

Parent-child relations graph

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