Compound
a neolactoside nLc4Cer(d18:1(4E))
Glycosphingolipids containing N-acetylglucosamine (paragloboside) or N-acetylgalactosamine (globoside). Globoside is the P antigen on erythrocytes and paragloboside is an intermediate in the biosynthesis of erythrocyte blood group ABH and P 1 glycosphingolipid antigens. The accumulation of globoside in tissue, due to a defect in hexosaminidases A and B, is the cause of Sandhoff disease.
Structure
- Class
- Organic compound
- Formula
- C45H79N2O23R
- Mass
- 1016.108 g/mol
- Charge
- 0
- SMILES
- [1*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
- Look it up
- ChEBI
Identity from ChEBI. Not evidence.
What it touches on the way
Mechanistic reach
13 entities
13 entities reached.
0 reported hops13 assembled from the scaffold
- ST3GAL4ProteinUNIPROT:Q11206substrate ofInferred only38 paths38 endpoints
- ST3GAL6ProteinUNIPROT:Q9Y274substrate ofInferred only34 paths17 endpoints
- FUT1ProteinUNIPROT:P19526substrate ofInferred only24 paths12 endpoints
- FUT2ProteinUNIPROT:Q10981substrate ofInferred only22 paths11 endpoints
- B3GNT3ProteinUNIPROT:Q9Y2A9substrate ofInferred only16 paths16 endpoints
- B3GNT5ProteinUNIPROT:Q9BYG0substrate ofInferred only15 paths15 endpoints
- B3GNT2ProteinUNIPROT:Q9NY97substrate ofInferred only11 paths11 endpoints
- FUT3ProteinUNIPROT:P21217substrate ofInferred only11 paths11 endpoints
- FUT5ProteinUNIPROT:Q11128substrate ofInferred only10 paths5 endpoints
- B3GNT4ProteinUNIPROT:Q9C0J1substrate ofInferred only9 paths9 endpoints
- FUT4ProteinUNIPROT:P22083substrate ofInferred only7 paths7 endpoints
- FUT9ProteinUNIPROT:Q9Y231substrate ofInferred only5 paths5 endpoints
Show the remaining 1
What the reference databases state
Statements
18 statements
18 statements · 2 reference databases · Subject: a neolactoside nLc4Cer(d18:1(4E)) · Sources: Human-GEM, Rhea
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of B3GNT2ProteinHuman-GEM MAR00889Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of B3GNT3ProteinHuman-GEM MAR00889Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of B3GNT4ProteinHuman-GEM MAR00889Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of B3GNT5ProteinRhea RHEA:23004Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT1ProteinHuman-GEM MAR00883Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT1ProteinRhea RHEA:48304Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT2ProteinRhea RHEA:48304Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT2ProteinHuman-GEM MAR00883Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT3ProteinHuman-GEM MAR00888Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT4ProteinHuman-GEM MAR00888Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT5ProteinRhea RHEA:48332Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT5ProteinHuman-GEM MAR00888Inferred only
Show the remaining 6
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT6ProteinHuman-GEM MAR00888Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of FUT9ProteinHuman-GEM MAR00888Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of GBGT1ProteinHuman-GEM MAR00879Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of ST3GAL4ProteinRhea RHEA:18913Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of ST3GAL6ProteinRhea RHEA:18913Inferred only
- a neolactoside nLc4Cer(d18:1(4E)) is a substrate of ST3GAL6ProteinHuman-GEM MAR00876Inferred only
Reactions
13 reactions
a beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer(d18:1(4E))+CHEBI:67119proton+a neolactoside nLc4Cer(d18:1(4E))+UDP
Catalysed by B4GALT1 or B4GALT2 or B4GALT4 or B4GALT3
Reaction pageLeft to rightBalance undeterminableEC 2.4.1.-cytosol
Human-GEM MAR00875CC BY 4.0Reference data
CMP-N-acetyl-beta-neuraminate+a neolactoside nLc4Cer(d18:1(4E))cytidine 5'-monophosphate+proton+a neolactoside IV(3)-alpha-NeuAc-nLc4Cer(d18:1(4E))
Catalysed by ST3GAL6
Reaction pageLeft to rightBalance undeterminableEC 2.4.3.6cytosol
Human-GEM MAR00876CC BY 4.0Reference data
a neolactoside nLc4Cer(d18:1(4E))+CHEBI:67119proton+MAM02592c+UDP
Catalysed by GBGT1
Reaction pageLeft to rightBalance undeterminableEC 2.4.1.87cytosol
Human-GEM MAR00879CC BY 4.0Reference data
MAM01950c+a neolactoside nLc4Cer(d18:1(4E))GDP+proton+MAM02196c
Reaction pageLeft to rightBalance undeterminableEC 2.4.1.69cytosol
Human-GEM MAR00883CC BY 4.0Reference data
MAM01950c+a neolactoside nLc4Cer(d18:1(4E))GDP+proton+MAM02163c
Catalysed by FUT5 or FUT6 or FUT3 or FUT9 or FUT4
Reaction pageLeft to rightBalance undeterminableEC 2.4.1.152, 2.4.1.65, 2.4.1.-cytosol
Human-GEM MAR00888CC BY 4.0Reference data
a neolactoside nLc4Cer(d18:1(4E))+CHEBI:16264proton+MAM02593c+UDP
Catalysed by B3GNT2 or B3GNT4 or B3GNT3
Reaction pageLeft to rightBalance undeterminableEC 2.4.1.149, 2.4.1.-cytosol
Human-GEM MAR00889CC BY 4.0Reference data
a neolactoside nLc4Cer(d18:1(4E))+CMP-N-acetyl-beta-neuraminatea neolactoside IV(3)-alpha-NeuAc-nLc4Cer(d18:1(4E))+CMP+hydron
Catalysed by ST3GAL4 or ST3GAL6
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:18913CC BY 4.0Reference data
a neolactoside nLc4Cer(d18:1(4E))+UDP-N-acetyl-alpha-D-glucosaminea neolactoside IV(3)-beta-GlcNAc-nLc4Cer(d18:1(4E))+UDP+hydron
Catalysed by B3GNT5
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:23004CC BY 4.0Reference data
a beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer(d18:1(4E))+UDP-alpha-D-galactosea neolactoside nLc4Cer(d18:1(4E))+UDP+hydron
Catalysed by B4GALT3 or B4GALT4 or B4GALT1
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:31499CC BY 4.0Reference data
a neolactoside IV(3)-alpha-NeuAc-nLc4Cer(d18:1(4E))+watera neolactoside nLc4Cer(d18:1(4E))+N-acetylneuraminate
Catalysed by NEU2
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:47852CC BY 4.0Reference data
a neolactoside IV(2)-alpha-Fuc-nLc4Cer(d18:1(4E))+watera neolactoside nLc4Cer(d18:1(4E))+L-fucose
Catalysed by FUCA1
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:48224CC BY 4.0Reference data
a neolactoside nLc4Cer(d18:1(4E))+GDP-beta-L-fucosea neolactoside IV(2)-alpha-Fuc-nLc4Cer(d18:1(4E))+GDP+hydron
Reaction pageLeft to rightBalance undeterminable
Rhea RHEA:48304CC BY 4.0Reference data
Other names
20 names
Resolves to: a neolactoside nLc4Cer(d18:1(4E))
- Also called
- (Gal)2 (Glc)1 (GlcNAc)1 (Cer)1beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(11')-Cerbeta-D-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramidebeta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(11')-CerD-Galactosyl-1,4-N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramideGalbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-CerGalbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta1-1CerGalβ1-4GlcNAcβ1-3Galβ1-4Glcβ1-1CerLA1lacto-N-neotetraosylceramidelactoneotetraosylceramideneolactotetraosylceramideNeolactotetraosylceramide (d18:1(4E))nLc4CernLcCerparagloboside, nLc4Cerβ-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-β-D-Glc-(1↔1')-Cerβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1↔1')-Cer
- Systematic name
- N-[(2S,3R,4E)-1-[beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyloxy]-3-hydroxyoctadec-4-en-2-yl]alkanamideN-[(2S,3R,4E)-1-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyloxy]-3-hydroxyoctadec-4-en-2-yl]alkanamide