Terminology Service for NFDI4Health
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-Cer(4-)
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http://purl.obolibrary.org/obo/CHEBI_90513
An anionic ganglioside arising from deprotonation of the neuraminosyl carboxy groups of a ganglioside GQ1c with undefined sphingoid base and fatty acyl chain; major species at pH 7.3.
Term info
Label
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-Cer(4-)
Subsets
3_STAR
charge
-4
formula
C74H114N6O55R2
has obo namespace
chebi_ontology
has related synonym
ganglioside GQ1c(4-), ganglioside GQ1c, alpha-Neup5Ac-(2->3)-beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer(4-)
id
CHEBI:90513
mass
1967.707
monoisotopicmass
1966.63080
smiles
[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@H](O[C@]2(O[C@]([C@@H]([C@H](C2)O)NC(C)=O)([C@@H]([C@@H](CO)O[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)[O-])O)[H])C(=O)[O-])CO)O)[H])(C([O-])=O)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](O[C@@H](OC[C@@H]([C@@H](*)O)NC(=O)*)[C@@H]([C@H]5O)O)CO)CO)O[C@H]6[C@@H]([C@H]([C@@H](O)[C@H](O6)CO)O[C@H]7[C@@H]([C@@H](O[C@]8(O[C@]([C@@H]([C@H](C8)O)NC(C)=O)([C@@H]([C@H](O)CO)O)[H])C([O-])=O)[C@H]([C@H](O7)CO)O)O)NC(C)=O