N-(2-hydroxytricosanoyl)-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine

Properties Image MNX_ID MNXM106968 reference chebi:71120 formula C46H89NO9 global charge 0 mol weight 800.216 InChIKey BJLXBJUYQPROGY-UCISBSMGSA-N InChI InChI=1S/C46H89NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-27-24-22-19-20-23-26-29-32-37(2)3/h30,33,37-44,46,48-53H,4-29,31-32,34-36H2,1-3H3,(H,47,54)/b33-30+/t38-,39+,40?,41+,42+,43-,44+,46+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCC(O)C(=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/C46H89NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-28-31-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-27-24-22-19-20-23-26-29-32-37(2)3/h30,33,37-44,46,48-53H,4-29,31-32,34-36H2,1-3H3,(H,47,54)/b33-30+/t38-,39+,40?,41+,42+,43-,44+,46+/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][CH2:18][CH2:21][CH2:25][CH2:28][CH2:31][CH2:34][CH:40]([C:45](=[N:47][C@@H:38]([CH2:36][O:55][C@H:46]1[C@H:44]([OH:53])[C@@H:43]([OH:52])[C@H:42]([OH:51])[C@@H:41]([CH2:35][OH:48])[O:56]1)[C@@H:39](/[CH:33]=[CH:30]/[CH2:27][CH2:24][CH2:22][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])[OH:49])[OH:54])[OH:50]

Parent-child relations graph

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