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a neolactoside VI(2)-alpha-Fuc,IV(6)-beta-[Fuc-alpha-(1->2)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer(d18:1(4E))

Properties

Image

Occurences in reactions

MNX_ID

MNXM41358

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	4

formula

C₈₅H₁₄₅N₄O₅₁*

charge

mass

reference

chebi:61644

InChIKey

InChI

SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:61644 chebi:61644	a neolactoside VI(2)-alpha-Fuc,IV(6)-beta-[Fuc-alpha-(1->2)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer(d18:1(4E)) (Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1 Fucalpha1->2Galbeta1->4GlcNAcbeta1->3(Fucalpha1->2Galbeta1->4GlcNAcbeta1->6)Galbeta1->4GlcNAcbeta1->3Galbeta1->4Glcbeta1->Cer N-[(2S,3R,4E)-1-{[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide N-[(2S,3R,4E)-1-{[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide alpha-Fuc-(1->2)-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-[alpha-Fuc-(1->2)-beta-Gal-(1->4)-beta-GlcNAc-(1->6)]-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer alpha-Fuc-(1->2)-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-[alpha-Fuc-(1->2)-beta-Gal-(1->4)-beta-GlcNAc-(1->6)]-beta-Gal-(1->4)-beta-GlcNAc-(1->3)-beta-Gal-(1->4)-beta-Glc-Cer alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-Cer alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-Cer alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide alphaFuc->2betaGal->4betaGlcNAc->3(alphaFuc->2betaGal->4betaGlcNAc->6)betaGal->4betaGlcNAc->3betaGal->4betaGlc->Cer
bigg.metabolite:fucfucgalacglc13galacglcgal14acglcgalgluside_cho biggM:fucfucgalacglc13galacglcgal14acglcgalgluside_cho bigg.metabolite:fucfucgalacglcgalacglcgal14acglcgalgluside_cho biggM:fucfucgalacglcgalacglcgal14acglcgalgluside_cho	(Gal)4 (Glc)1 (GlcNAc)3 (LFuc)2 (Cer)1
seed.compound:cpd21565 seedM:cpd21565 seed.compound:cpd21570 seedM:cpd21570	(Gal)4(Glc)1(GlcNAc)3(LFuc)2(Cer)1
biggM:M_fucfucgalacglc13galacglcgal14acglcgalgluside_cho biggM:M_fucfucgalacglcgalacglcgal14acglcgalgluside_cho seedM:M_cpd21565 seedM:M_cpd21570	secondary/obsolete/fantasy identifier