**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

beta-GalCer

Properties Image MNX_ID MNXM1508560 reference hmdb:HMDB0249129 formula C48H93NO8 global charge 0 mol weight 812.271 InChIKey POQRWMRXUOPCLD-UHFFFAOYSA-N InChI InChI=1S/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52) SMILES CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C48H93NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35?/t41?,42?,43?,45?,46?,47?,48? SMILES (mnx) [CH3:1][CH2:2][CH2:3][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][CH2:21][CH2:22][CH2:23][C:24](=[CH2:25])[CH2:26][CH:27]([CH2:28][CH2:29][CH:30]1[CH2:31][CH:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH:37]([CH3:38])[CH:39]1[CH3:40])[CH:41]([CH3:42])[CH:43]=[CH:44][CH2:45][CH2:46][CH2:47][CH2:48][NH:49][O:50][O:51][O:52][O:53][O:54][O:55][O:56][OH:57]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 11 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
hmdb:HMDB0249129 POQRWMRXUOPCLD-UHFFFAOYSA-N	beta-GalCer Cerasine Kerasin N-(3-Hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl)tetracosanimidate N-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl)tetracosanamide beta-D-Galactosyl-N-(N-acyl)-D-sphingosine
vmhM:galgluside_hs vmhM:galgluside_hs vmhmetabolite:galgluside_hs vmhmetabolite:galgluside_hs POQRWMRXUOPCLD-UHFFFAOYSA-N	galactosyl glucosyl ceramide
vmhM:M_galgluside_hs	secondary/obsolete/fantasy identifier