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a ganglioside GP1c (d18:1(4E))

Properties

Image

Occurences in reactions

MNX_ID

MNXM1375022

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₁₀₀H₁₅₉N₇O₆₃*

charge

mass

reference

chebi:87792

InChIKey

InChI

SMILES

[CH3:1][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]/[CH:21]=[CH:22]/[C@H:46]([C@H:45]([CH2:37][O:154][C@H:89]1[C@H:75]([OH:141])[C@@H:74]([OH:140])[C@H:78]([O:159][C@H:91]2[C@H:77]([OH:143])[C@@H:87]([O:171][C@:101]3([C:96](=[O:152])[OH:153])[CH2:27][C@H:51]([OH:130])[C@@H:65]([N:107]=[C:43]([CH3:7])[OH:123])[C@H:85]([C@@H:73]([C@@H:58]([CH2:34][OH:115])[O:164][C@:99]4([C:94](=[O:148])[OH:149])[CH2:25][C@H:49]([OH:128])[C@@H:63]([N:105]=[C:41]([CH3:5])[OH:121])[C@H:83]([C@@H:71]([C@@H:56]([CH2:32][OH:113])[O:162][C@:97]5([C:92](=[O:144])[OH:145])[CH2:23][C@H:47]([OH:126])[C@@H:61]([N:103]=[C:39]([CH3:3])[OH:119])[C@H:81]([C@@H:67]([C@@H:52]([CH2:28][OH:109])[OH:131])[OH:133])[O:165]5)[OH:137])[O:167]4)[OH:139])[O:169]3)[C@@H:79]([O:160][C@H:88]3[C@H:66]([N:108]=[C:44]([CH3:8])[OH:124])[C@@H:80]([O:161][C@H:90]4[C@H:76]([OH:142])[C@@H:86]([O:170][C@:100]5([C:95](=[O:150])[OH:151])[CH2:26][C@H:50]([OH:129])[C@@H:64]([N:106]=[C:42]([CH3:6])[OH:122])[C@H:84]([C@@H:72]([C@@H:57]([CH2:33][OH:114])[O:163][C@:98]6([C:93](=[O:146])[OH:147])[CH2:24][C@H:48]([OH:127])[C@@H:62]([N:104]=[C:40]([CH3:4])[OH:120])[C@H:82]([C@@H:68]([C@@H:53]([CH2:29][OH:110])[OH:132])[OH:134])[O:166]6)[OH:138])[O:168]5)[C@@H:70]([OH:136])[C@@H:55]([CH2:31][OH:112])[O:156]4)[C@@H:69]([OH:135])[C@@H:54]([CH2:30][OH:111])[O:155]3)[C@@H:60]([CH2:36][OH:117])[O:158]2)[C@@H:59]([CH2:35][OH:116])[O:157]1)[N:102]=[C:38]([13CH3:2])[OH:118])[OH:125]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:87792 chebi:87792	a ganglioside GP1c (d18:1(4E)) alpha-Neu5Ac-(2->8)-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(5-) ganglioside GP1c(5-)
SLM:000489923 slm:000489923	Ganglioside GP1c (d18:1(4E)) GP1c(d18:1(4E)) Ganglioside GP1c (d18:1(4E)) alpha-N-acetylneuraminosyl-(2->8)-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->8)-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:52602 chebi:52602	ganglioside GP1c (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->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 alpha-N-acetylneuraminosyl-(2->8)-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