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

Properties Image MNX_ID MNXM107153 reference chebi:71121 formula C46H91NO9 global charge 0 mol weight 802.232 InChIKey KLKROZSJNPQJFY-NGGHUBGLSA-N InChI InChI=1S/C46H91NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(50)47-38(36-55-46-45(54)44(53)43(52)40(35-48)56-46)42(51)39(49)33-30-27-24-22-21-23-26-29-32-37(2)3/h37-40,42-46,48-49,51-54H,4-36H2,1-3H3,(H,47,50)/t38-,39+,40+,42-,43+,44-,45+,46+/m0/s1 SMILES CCCCCCCCCCCCCCCCCCCCCCC(=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/C46H91NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-41(50)47-38(36-55-46-45(54)44(53)43(52)40(35-48)56-46)42(51)39(49)33-30-27-24-22-21-23-26-29-32-37(2)3/h37-40,42-46,48-49,51-54H,4-36H2,1-3H3,(H,47,50)/t38-,39+,40+,42-,43+,44-,45+,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][CH2:19][CH2:20][CH2:25][CH2:28][CH2:31][CH2:34][C:41](=[N:47][C@@H:38]([CH2:36][O:55][C@H:46]1[C@H:45]([OH:54])[C@@H:44]([OH:53])[C@H:43]([OH:52])[C@@H:40]([CH2:35][OH:48])[O:56]1)[C@@H:42]([C@@H:39]([CH2:33][CH2:30][CH2:27][CH2:24][CH2:22][CH2:21][CH2:23][CH2:26][CH2:29][CH2:32][CH:37]([CH3:2])[CH3:3])[OH:49])[OH:51])[OH:50]

Parent-child relations graph

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