1.0 2016-09-30 23:14:12 UTC 2020-05-11 20:54:22 UTC BMDB0004975 BMDB04975 Glucosylceramide (d18:1/24:1(15Z)) 1-O-beta-D-Glucopyranosyl-N-(nervonoyl)sphingosine beta-D-Glucosyl-N-(15Z-tetracosenoyl)-sphing-4E-enine beta-GlcCer (C24:1) C24:1 beta-D-Glucosyl ceramide C24:1 beta-GlcCer C24:1 GlcCer C24:1-beta-Glucosyl ceramide D-Glucosyl-beta-1,1' N-(15Z-tetracosenoyl)-D-erythro-sphingosine GlcCer(D18:1/24:1(15Z)) Glucosyl(beta) ceramide (D18:1/24:1(15Z)) N-(15Z-Tetracosenoyl)-1-beta-glucosyl-sphing-4-ene N-(15Z-Tetracosenoyl)-1-beta-glucosyl-sphing-4-enine N-Nervonoyl-beta-D-glucosylsphingosine N-Nervonoyl-beta-glucosylsphingosine N-Nervonoylglucosylsphingosine N-Nervonyl-beta-D-glucosylsphingosine N-Nervonyl-beta-glucosylsphingosine N-Nervonylglucosylsphingosine 1-O-b-D-Glucopyranosyl-N-(nervonoyl)sphingosine 1-O-Β-D-glucopyranosyl-N-(nervonoyl)sphingosine b-D-Glucosyl-N-(15Z-tetracosenoyl)-sphing-4E-enine Β-D-glucosyl-N-(15Z-tetracosenoyl)-sphing-4E-enine b-GlcCer (C24:1) Β-glccer (C24:1) C24:1 b-D-Glucosyl ceramide C24:1 Β-D-glucosyl ceramide C24:1 b-GlcCer C24:1 Β-glccer C24:1-b-Glucosyl ceramide C24:1-Β-glucosyl ceramide D-Glucosyl-b-1,1' N-(15Z-tetracosenoyl)-D-erythro-sphingosine D-Glucosyl-β-1,1' N-(15Z-tetracosenoyl)-D-erythro-sphingosine Glucosyl(b) ceramide (D18:1/24:1(15Z)) Glucosyl(β) ceramide (D18:1/24:1(15Z)) N-(15Z-Tetracosenoyl)-1-b-glucosyl-sphing-4-ene N-(15Z-Tetracosenoyl)-1-β-glucosyl-sphing-4-ene N-(15Z-Tetracosenoyl)-1-b-glucosyl-sphing-4-enine N-(15Z-Tetracosenoyl)-1-β-glucosyl-sphing-4-enine N-Nervonoyl-b-D-glucosylsphingosine N-Nervonoyl-β-D-glucosylsphingosine N-Nervonoyl-b-glucosylsphingosine N-Nervonoyl-β-glucosylsphingosine N-Nervonyl-b-D-glucosylsphingosine N-Nervonyl-β-D-glucosylsphingosine N-Nervonyl-b-glucosylsphingosine N-Nervonyl-β-glucosylsphingosine b-D-Glucosyl-N-(nervonoyl)sphingosine Β-D-glucosyl-N-(nervonoyl)sphingosine 1-O-b-D-Glucopyranosyl-ceramide 1-O-beta-delta-Glucopyranosyl-ceramide Ganglioside GL1a Gaucher cerebroside GLC-beta1->1'cer GLC-beta1->1'cer(D18:1/24:1 GlcCeramide Glucocerebroside Glucosylceramide C48H91NO8 810.238 809.674468893 (15Z)-N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]tetracos-15-enamide (15Z)-N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]tetracos-15-enamide CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C48H91NO8/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/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17-,37-35+/t41-,42+,43+,45+,46-,47+,48+/m0/s1 WBOZIXHPUPAOIA-JZZPSRGZSA-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 beta-D-glucosyl-N-acylsphingosine Solid water_solubility Insoluble logp 9.12 ALOGPS logs -6.53 ALOGPS logp 12.29 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic -1 ChemAxon iupac (15Z)-N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadec-4-en-2-yl]tetracos-15-enamide ChemAxon average_mass 810.238 ChemAxon mono_mass 809.674468893 ChemAxon smiles CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C48H91NO8 ChemAxon inchi InChI=1S/C48H91NO8/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/h17-18,35,37,41-43,45-48,50-51,53-55H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)/b18-17-,37-35+/t41-,42+,43+,45+,46-,47+,48+/m0/s1 ChemAxon inchikey WBOZIXHPUPAOIA-JZZPSRGZSA-N ChemAxon polar_surface_area 148.71 ChemAxon refractivity 236.11 ChemAxon polarizability 103.89 ChemAxon rotatable_bond_count 40 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 293596 Specdb::MsMs 293597 Specdb::MsMs 293598 Specdb::MsMs 334102 Specdb::MsMs 334103 Specdb::MsMs 334104 Specdb::MsMs 2841150 Specdb::MsMs 2841151 Specdb::MsMs 2841152 Specdb::MsMs 2863890 Specdb::MsMs 2863891 Specdb::MsMs 2863892 Bone Marrow 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 Brain 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 Liver 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 Neuron 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 Spleen 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 16744960 20057357 76302 FDB023562 C01190 7228 GLUCOSYL_CERAMIDE