1.0 2016-10-03 18:36:10 UTC 2020-04-22 15:49:39 UTC BMDB0012321 BMDB12321 Galactosylceramide (d18:1/14:0) 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-(Tetradecanoyl)-1-b-galactosyl-sphing-4-enine N-(Tetradecanoyl)-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]tetradecanimidate C38H73NO8 671.9881 671.533618317 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]tetradecanamide 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]tetradecanamide 148347-41-5 CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25-/t31?,32?,33-,35+,36+,37-,38-/m1/s1 BDGGMKFFYWPIFU-RVGPXRCNSA-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 7.10 ALOGPS logs -5.50 ALOGPS logp 8.21 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]tetradecanamide ChemAxon average_mass 671.9881 ChemAxon mono_mass 671.533618317 ChemAxon smiles CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC ChemAxon formula C38H73NO8 ChemAxon inchi InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25-/t31?,32?,33-,35+,36+,37-,38-/m1/s1 ChemAxon inchikey BDGGMKFFYWPIFU-RVGPXRCNSA-N ChemAxon polar_surface_area 148.71 ChemAxon refractivity 188.99 ChemAxon polarizability 83.42 ChemAxon rotatable_bond_count 31 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 2680314 Specdb::MsMs 2680315 Specdb::MsMs 2680316 Specdb::MsMs 3025170 Specdb::MsMs 3025171 Specdb::MsMs 3025172 Specdb::CMs 702720 Specdb::CMs 702721 Specdb::CMs 702722 Specdb::CMs 702723 Specdb::CMs 702724 Specdb::CMs 702725 Specdb::CMs 702726 Specdb::CMs 702727 Specdb::CMs 702728 Specdb::CMs 702729 Specdb::CMs 702730 Specdb::CMs 702731 Specdb::CMs 702732 Specdb::CMs 702733 Specdb::CMs 702734 Specdb::CMs 702735 Specdb::CMs 702736 Specdb::CMs 702737 Specdb::CMs 702738 Specdb::CMs 702739 Specdb::CMs 702740 Specdb::CMs 702741 Specdb::CMs 702742 Specdb::CMs 702743 Specdb::CMs 702744 FDB028943 53481406 C02686 BMDBP00080 Galactosylceramide sulfotransferase A6QNK1 GAL3ST1 Enzyme