1.0 2016-10-03 18:21:23 UTC 2020-04-22 15:45:29 UTC BMDB0011592 BMDB11592 Lactosyceramide (d18:1/18:1(9Z)) beta-D-Galactosyl-(1->4)-beta-D-glucosyl-(11)-N-[(9Z)-octadecenoyl]-sphing-4-enine beta-D-Galactosyl-(1->4)-beta-D-glucosyl-(11)-N-[(9Z)-octadecenoyl]-sphingosine beta-D-Galactosyl-(1->4)-beta-D-glucosyl-(11)-N-oleoylsphing-4-enine LacCer(D18:1/18:1(9Z)) N-(9Z-Octadecenoyl)-1-beta-lactosyl-sphing-4-enine N-(9Z-Octadecenoyl)-1-beta-lactosyl-sphingosine b-D-Galactosyl-(1->4)-b-D-glucosyl-(11)-N-[(9Z)-octadecenoyl]-sphing-4-enine Β-D-galactosyl-(1->4)-β-D-glucosyl-(11)-N-[(9Z)-octadecenoyl]-sphing-4-enine b-D-Galactosyl-(1->4)-b-D-glucosyl-(11)-N-[(9Z)-octadecenoyl]-sphingosine Β-D-galactosyl-(1->4)-β-D-glucosyl-(11)-N-[(9Z)-octadecenoyl]-sphingosine b-D-Galactosyl-(1->4)-b-D-glucosyl-(11)-N-oleoylsphing-4-enine Β-D-galactosyl-(1->4)-β-D-glucosyl-(11)-N-oleoylsphing-4-enine N-(9Z-Octadecenoyl)-1-b-lactosyl-sphing-4-enine N-(9Z-Octadecenoyl)-1-β-lactosyl-sphing-4-enine N-(9Z-Octadecenoyl)-1-b-lactosyl-sphingosine N-(9Z-Octadecenoyl)-1-β-lactosyl-sphingosine 1-O-(4-O-b-D-Galactopyranosyl-b-D-glucopyranosyl)-ceramide 1-O-(4-O-beta-D-Galactopyranosyl-beta-glucopyranosyl)ceramide 1-O-(4-O-beta-delta-Galactopyranosyl-beta-delta-glucopyranosyl)-ceramide 1-O-(4-O-beta-delta-Galactopyranosyl-beta-glucopyranosyl)ceramide 1Ylce-O-(4-O-beta-delta-galactopyranosyl-beta-glucopyranosyl)ceramide beta-D-Galactosyl-1,4-beta-D-glucosylceramide beta-delta-Galactosyl-1,4-beta-delta-glucosramide beta-delta-Galactosyl-1,4-beta-delta-glucosylceramide CDH CDW17 Antigen Cytolipin H D-Galactosyl-1,4-beta-D-glucosylceramide delta-Galactosyl-1,4-beta-delta-glucosylceramide Gal-beta1->4GLC-beta1->1'cer LacCer LacCer(D18:1/18:1) Lactosyl ceramide (D18:1/18:1(9Z)) Lactosyl-N-acylsphingosine Lactosylceramide Lactosylceramide (D18:1/18:1) N-(Oleoyl)-1-b-lactosyl-sphing-4-enine N-(Oleoyl)-1-beta-lactosyl-sphing-4-enine N-Lignoceryl sphingosyl lactoside b-D-Galactosyl-(1->4)-b-D-glucosyl-(11)-N-oleoylsphingosine Β-D-galactosyl-(1->4)-β-D-glucosyl-(11)-N-oleoylsphingosine beta-D-Galactosyl-(1->4)-beta-D-glucosyl-(11)-N-oleoylsphingosine C48H89NO13 888.2192 887.633391939 (9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide (9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide [H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCC\C=C/CCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1 YVBUQOZKCCPFCZ-HSVHIEHGSA-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 Disaccharides Fatty acyl glycosides of mono- and disaccharides 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 Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Fatty amide Glycosyl compound Glycosyl-n-acylsphingosine Hydrocarbon derivative 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 6.24 ALOGPS logs -5.19 ALOGPS logp 7.85 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3 ChemAxon iupac (9Z)-N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide ChemAxon average_mass 888.2192 ChemAxon mono_mass 887.633391939 ChemAxon smiles [H][C@@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(NC(=O)CCCCCCC\C=C/CCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC ChemAxon formula C48H89NO13 ChemAxon inchi InChI=1S/C48H89NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h17-18,29,31,36-39,41-48,50-52,54-58H,3-16,19-28,30,32-35H2,1-2H3,(H,49,53)/b18-17-,31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1 ChemAxon inchikey YVBUQOZKCCPFCZ-HSVHIEHGSA-N ChemAxon polar_surface_area 227.86 ChemAxon refractivity 240.92 ChemAxon polarizability 105.82 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 323494 Specdb::MsMs 323495 Specdb::MsMs 323496 Specdb::MsMs 371662 Specdb::MsMs 371663 Specdb::MsMs 371664 Specdb::MsMs 2785285 Specdb::MsMs 2785286 Specdb::MsMs 2785287 Specdb::MsMs 2923996 Specdb::MsMs 2923997 Specdb::MsMs 2923998 53480999 24765751 131557