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

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1364790

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	15

formula

C₆₇H₁₁₁N₄O₃₉*

charge

mass

reference

chebi:87785

InChIKey

InChI

SMILES

[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:34]([C@H:33]([CH2:28][O:100][C@H:62]1[C@H:53]([OH:94])[C@@H:51]([OH:92])[C@H:55]([O:105][C@H:64]2[C@H:54]([OH:95])[C@@H:60]([O:111][C@:68]3([C:66](=[O:98])[OH:99])[CH2:21][C@H:36]([OH:85])[C@@H:44]([N:71]=[C:31]([CH3:4])[OH:81])[C@H:59]([C@@H:49]([C@@H:40]([CH2:25][OH:76])[O:108][C@:67]4([C:65](=[O:96])[OH:97])[CH2:20][C@H:35]([OH:84])[C@@H:43]([N:70]=[C:30]([CH3:3])[OH:80])[C@H:58]([C@@H:46]([C@@H:37]([CH2:22][OH:73])[OH:86])[OH:87])[O:109]4)[OH:90])[O:110]3)[C@@H:56]([O:106][C@H:61]3[C@H:45]([N:72]=[C:32]([CH3:5])[OH:82])[C@@H:57]([O:107][C@H:63]4[C@H:52]([OH:93])[C@@H:50]([OH:91])[C@@H:47]([OH:88])[C@@H:38]([CH2:23][OH:74])[O:102]4)[C@@H:48]([OH:89])[C@@H:39]([CH2:24][OH:75])[O:101]3)[C@@H:42]([CH2:27][OH:78])[O:104]2)[C@@H:41]([CH2:26][OH:77])[O:103]1)[N:69]=[C:29]([*:2])[OH:79])[OH:83]

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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
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	secondary/obsolete/fantasy identifier