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a ganglioside GQ1c (d18:1(4E))

Properties

Image

Occurences in reactions

MNX_ID

MNXM1379414

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

formula

C₈₉H₁₄₃N₆O₅₅*

charge

mass

reference

chebi:87791

InChIKey

InChI

SMILES

[CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:20]=[CH:21]/[C@H:42]([C@H:41]([CH2:34][O:136][C@H:80]1[C@H:67]([OH:125])[C@@H:66]([OH:124])[C@H:70]([O:141][C@H:82]2[C@H:69]([OH:127])[C@@H:78]([O:151][C@:90]3([C:86](=[O:134])[OH:135])[CH2:25][C@H:46]([OH:115])[C@@H:58]([N:95]=[C:39]([CH3:6])[OH:109])[C@H:76]([C@@H:65]([C@@H:52]([CH2:31][OH:102])[O:145][C@:88]4([C:84](=[O:130])[OH:131])[CH2:23][C@H:44]([OH:113])[C@@H:57]([N:94]=[C:38]([CH3:5])[OH:108])[C@H:75]([C@@H:64]([C@@H:51]([CH2:30][OH:101])[O:144][C@:87]5([C:83](=[O:128])[OH:129])[CH2:22][C@H:43]([OH:112])[C@@H:55]([N:92]=[C:36]([CH3:3])[OH:106])[C@H:73]([C@@H:60]([C@@H:47]([CH2:26][OH:97])[OH:116])[OH:118])[O:146]5)[OH:122])[O:148]4)[OH:123])[O:149]3)[C@@H:71]([O:142][C@H:79]3[C@H:59]([N:96]=[C:40]([CH3:7])[OH:110])[C@@H:72]([O:143][C@H:81]4[C@H:68]([OH:126])[C@@H:77]([O:150][C@:89]5([C:85](=[O:132])[OH:133])[CH2:24][C@H:45]([OH:114])[C@@H:56]([N:93]=[C:37]([CH3:4])[OH:107])[C@H:74]([C@@H:61]([C@@H:48]([CH2:27][OH:98])[OH:117])[OH:119])[O:147]5)[C@@H:63]([OH:121])[C@@H:50]([CH2:29][OH:100])[O:138]4)[C@@H:62]([OH:120])[C@@H:49]([CH2:28][OH:99])[O:137]3)[C@@H:54]([CH2:33][OH:104])[O:140]2)[C@@H:53]([CH2:32][OH:103])[O:139]1)[N:91]=[C:35]([13CH3:2])[OH:105])[OH:111]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:87791 chebi:87791	a ganglioside GQ1c (d18:1(4E)) GQ1c(4-) alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer(4-) ganglioside GQ1c(4-)
SLM:000489924 slm:000489924	Ganglioside GQ1c (d18:1(4E)) GQ1c(d18:1(4E)) Ganglioside GQ1c (d18:1(4E)) alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-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 alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide
CHEBI:87994 chebi:87994	alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer (2S,3R,4E)-2-alkanamido-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->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[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)4 (Cer)1 GQ1c NeuAca2-3Galb1-3GalNAcb1-4(NeuAca2-8NeuAca2-8NeuAca2-3)Galb1-4GlcbCer NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphing-4-enine alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer ganglioside GQ1c