1.0 2016-10-03 18:12:19 UTC 2020-05-11 19:13:54 UTC BMDB0010710 BMDB10710 Galactosylceramide (d18:1/20:0) Galactosylceramide (D18:1/20:0) belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. Galactosylceramide (D18:1/20:0) is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). a-GalCer alpha-GalCer Cerebroside D-Galactosyl-N-acylsphingosine D-Galactosylceramide delta-Galactosyl-N-acylsphingosine delta-Galactosylceramide Gal-b-cer Gal-beta-1-1'cer Gal-beta-cer Galactocerebroside Galactosylceramide GalCer N-(Eicosanoyl)-1-b-galactosyl-sphing-4-enine N-(Eicosanoyl)-1-beta-galactosyl-sphing-4-enine N-[(4Z)-3-Hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]icosanimidate C44H85NO8 756.1476 755.627518701 N-[(4Z)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]icosanamide N-[(4Z)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]icosanamide CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31-/t37?,38?,39-,41+,42+,43-,44-/m1/s1 DFELABABMXOKTD-RBULGSFCSA-N belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. Organic compounds Lipids and lipid-like molecules Sphingolipids Glycosphingolipids Glycosyl-N-acylsphingosines Acetals Alkyl glycosides Carbonyl compounds Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives N-acyl amines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Fatty amide Glycosyl compound Glycosyl-n-acylsphingosine Hexose monosaccharide Hydrocarbon derivative Monosaccharide N-acyl-amine O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp 8.50 ALOGPS logs -6.20 ALOGPS logp 10.87 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic 0.019 ChemAxon iupac N-[(4Z)-3-hydroxy-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]icosanamide ChemAxon average_mass 756.1476 ChemAxon mono_mass 755.627518701 ChemAxon smiles CCCCCCCCCCCCCCCCCCCC(=O)NC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)\C=C/CCCCCCCCCCCCC ChemAxon formula C44H85NO8 ChemAxon inchi InChI=1S/C44H85NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31,33,37-39,41-44,46-47,49-51H,3-30,32,34-36H2,1-2H3,(H,45,48)/b33-31-/t37?,38?,39-,41+,42+,43-,44-/m1/s1 ChemAxon inchikey DFELABABMXOKTD-RBULGSFCSA-N ChemAxon polar_surface_area 148.71 ChemAxon refractivity 216.59 ChemAxon polarizability 96.51 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 2473769 Specdb::MsMs 2473770 Specdb::MsMs 2473771 Specdb::MsMs 2491367 Specdb::MsMs 2491368 Specdb::MsMs 2491369 Specdb::CMs 780346 Specdb::CMs 780347 Specdb::CMs 780348 Specdb::CMs 780349 Specdb::CMs 780350 Specdb::CMs 780351 Specdb::CMs 780352 Specdb::CMs 780353 Specdb::CMs 780354 Specdb::CMs 780355 Specdb::CMs 780356 Specdb::CMs 780357 Specdb::CMs 780358 Specdb::CMs 780359 Specdb::CMs 780360 Specdb::CMs 780361 Specdb::CMs 780362 Specdb::CMs 780363 Specdb::CMs 780364 Specdb::CMs 780365 Specdb::CMs 780366 Specdb::CMs 780367 Specdb::CMs 780368 Specdb::CMs 780369 Specdb::CMs 780370 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Milk Jensen RG: The composition of bovine milk lipids: January 1995 to December 2000. J Dairy Sci. 2002 Feb;85(2):295-350. doi: 10.3168/jds.S0022-0302(02)74079-4. 11913692 Milk Jensen RG, Ferris AM, Lammi-Keefe CJ: The composition of milk fat. J Dairy Sci. 1991 Sep;74(9):3228-43. doi: 10.3168/jds.S0022-0302(91)78509-3. 1779072 53480654 C02686 191340 24765746 FDB027860 Jensen RG: The composition of bovine milk lipids: January 1995 to December 2000. J Dairy Sci. 2002 Feb;85(2):295-350. doi: 10.3168/jds.S0022-0302(02)74079-4. 11913692 BMDBP00080 Galactosylceramide sulfotransferase A6QNK1 GAL3ST1 Enzyme