1.0 2016-10-03 18:36:08 UTC 2020-04-22 15:49:39 UTC BMDB0012320 BMDB12320 Galactosylceramide (d18:1/12:0) 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-(Dodecanoyl)-1-b-galactosyl-sphing-4-enine N-(Dodecanoyl)-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]dodecanimidate N-(Dodecanoyl)-1-β-galactosyl-sphing-4-enine C36H69NO8 643.935 643.502318189 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]dodecanamide 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]dodecanamide 111956-48-0 CCCCCCCCCCCCC\C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC InChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23-/t29?,30?,31-,33+,34+,35-,36-/m1/s1 IYCYEZLMOLRFAN-KXKCTSJCSA-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 6.44 ALOGPS logs -5.27 ALOGPS logp 7.32 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]dodecanamide ChemAxon average_mass 643.935 ChemAxon mono_mass 643.502318189 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)CCCCCCCCCCC ChemAxon formula C36H69NO8 ChemAxon inchi InChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23-/t29?,30?,31-,33+,34+,35-,36-/m1/s1 ChemAxon inchikey IYCYEZLMOLRFAN-KXKCTSJCSA-N ChemAxon polar_surface_area 148.71 ChemAxon refractivity 179.78 ChemAxon polarizability 79.2 ChemAxon rotatable_bond_count 29 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 2401928 Specdb::MsMs 2401929 Specdb::MsMs 2401930 Specdb::MsMs 2533896 Specdb::MsMs 2533897 Specdb::MsMs 2533898 Specdb::CMs 626064 Specdb::CMs 626065 Specdb::CMs 626066 Specdb::CMs 626067 Specdb::CMs 626068 Specdb::CMs 626069 Specdb::CMs 626070 Specdb::CMs 626071 Specdb::CMs 626072 Specdb::CMs 626073 Specdb::CMs 626074 Specdb::CMs 626075 Specdb::CMs 626076 Specdb::CMs 626077 Specdb::CMs 626078 Specdb::CMs 626079 Specdb::CMs 626080 Specdb::CMs 626081 Specdb::CMs 626082 Specdb::CMs 626083 Specdb::CMs 626084 Specdb::CMs 626085 Specdb::CMs 626086 Specdb::CMs 626087 Specdb::CMs 626088 53481405 C02686 176270 35032434 FDB028942 BMDBP00080 Galactosylceramide sulfotransferase A6QNK1 GAL3ST1 Enzyme