1.0 2016-09-30 23:14:06 UTC 2020-05-11 20:54:18 UTC BMDB0004971 BMDB04971 Glucosylceramide (d18:1/16:0) beta-D-Glucosyl-(11')-N-hexadecanoylsphing-4-enine beta-D-Glucosyl-N-palmitoylsphinganine N-(Hexadecanoyl)-1-beta-glucosyl-sphing-4-enine b-D-Glucosyl-(11')-N-hexadecanoylsphing-4-enine Β-D-glucosyl-(11')-N-hexadecanoylsphing-4-enine b-D-Glucosyl-N-palmitoylsphinganine Β-D-glucosyl-N-palmitoylsphinganine N-(Hexadecanoyl)-1-b-glucosyl-sphing-4-enine N-(Hexadecanoyl)-1-β-glucosyl-sphing-4-enine Glucosylceramide Glucosylceramide(D18:1/16:0) N-(Hexadecanoyl)-1-β-glucosyl-sphingosine N-(Hexadecanoyl)-1-β-glucosyl-D-erythro-sphingosine N-(Hexadecanoyl)-1-β-glucosyl-4-sphingenine N-(Hexadecanoyl)-1-β-glucosyl-D-sphingosine N-(Hexadecanoyl)-1-β-glucosyl-sphingenine N-(Hexadecanoyl)-1-β-glucosyl-erythro-4-sphingenine GlcCer(D18:1/16:0) 1-O-b-D-Glucopyranosyl-ceramide 1-O-beta-delta-Glucopyranosyl-ceramide Ganglioside GL1a Gaucher cerebroside GLC-beta1->1'cer GlcCeramide Glucocerebroside b-D-Glucosyl-N-hexadecanoylsphingosine Β-D-glucosyl-N-hexadecanoylsphingosine beta-D-Glucosyl-N-hexadecanoylsphing-4E-enine b-D-Glucosyl-N-hexadecanoylsphing-4E-enine Β-D-glucosyl-N-hexadecanoylsphing-4E-enine C40H77NO8 700.0413 699.564918445 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]hexadecanamide 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]hexadecanamide CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1 VJLLLMIZEJJZTE-NNTBDIJYSA-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 7.70 ALOGPS logs -5.74 ALOGPS logp 9.09 ChemAxon pka_strongest_acidic 12.18 ChemAxon pka_strongest_basic 0.019 ChemAxon iupac 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]hexadecanamide ChemAxon average_mass 700.0413 ChemAxon mono_mass 699.564918445 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC ChemAxon formula C40H77NO8 ChemAxon inchi InChI=1S/C40H77NO8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(43)33(32-48-40-39(47)38(46)37(45)35(31-42)49-40)41-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,33-35,37-40,42-43,45-47H,3-26,28,30-32H2,1-2H3,(H,41,44)/b29-27+/t33-,34+,35+,37+,38-,39+,40+/m0/s1 ChemAxon inchikey VJLLLMIZEJJZTE-NNTBDIJYSA-N ChemAxon polar_surface_area 148.71 ChemAxon refractivity 198.19 ChemAxon polarizability 88.44 ChemAxon rotatable_bond_count 33 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::CMs 21460 Specdb::MsMs 313729 Specdb::MsMs 313730 Specdb::MsMs 313731 Specdb::MsMs 359287 Specdb::MsMs 359288 Specdb::MsMs 359289 Specdb::MsMs 2420205 Specdb::MsMs 2420206 Specdb::MsMs 2420207 Specdb::MsMs 2545489 Specdb::MsMs 2545490 Specdb::MsMs 2545491 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 14035030 C01190 84716 16744956 FDB023558 GLUCOSYL_CERAMIDE 7224