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a ganglioside GD1b (d18:1(4E))

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1364001

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	15

formula

C₆₇H₁₁₁N₄O₃₉*

charge

-2

mass

reference

chebi:87785

InChIKey

InChI

SMILES

[*]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]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9840682 reactomeM:R-ALL-9840682 reactome:R-ALL-9845514 reactomeM:R-ALL-9845514 CHEBI:87785 chebi:87785	a ganglioside GD1b (d18:1(4E)) beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(2-)
vmhM:gd1b_hs vmhM:gd1b_hs vmhmetabolite:gd1b_hs vmhmetabolite:gd1b_hs	GD1b
bigg.metabolite:gd1b_hs biggM:gd1b_hs	GD1b (homo sapiens)
kegg.compound:C06141 keggC:C06141	GD1b Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer
vmhM:gd1c_hs vmhM:gd1c_hs vmhmetabolite:gd1c_hs vmhmetabolite:gd1c_hs	GD1c
SLM:000489919 slm:000489919	Ganglioside GD1b (d18:1(4E)) GD1b(d18:1(4E)) Ganglioside GD1b (d18:1(4E)) beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide
metacyc.compound:Ganglioside-GD1b metacycM:Ganglioside-GD1b	a ganglioside GD1b II3(Neu5Ac)2Gg4Cer
CHEBI:28175 chebi:28175	beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside (Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)2 (Cer)1 GD1b Gal(beta1-3)GalNAc(beta1-4)[NeuAc(alpha2-8)NeuAc(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta1-1Cer Galbeta1->3GalNAcbeta1->4(NeuAcalpha2->8NeuAcalpha2->3)Galbeta1->4Glcbeta1-1Cer II(3)(Neuaca2-8NeuAc)Gg4Cer II(3)Neu5Ac2GgOse4Cer beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer disialo GD1b disialoganglioside GD1b ganglioside GD1b
chebi:21150 chebi:5209 biggM:M_gd1b_hs keggC:M_C06141 vmhM:M_gd1b_hs vmhM:M_gd1c_hs	secondary/obsolete/fantasy identifier