Terminology Service for NFDI4Health

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-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_87785


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of 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; major species at pH 7.3.

Term info

Label

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-)

Subsets

3_STAR

charge

-2

formula

C67H111N4O39R

has obo namespace

chebi_ontology

has related synonym

ganglioside GD1b (d18:1(4E))

id

CHEBI:87785

mass

1596.604

monoisotopicmass

1595.68254

smiles

[C@@]1(O[C@]([C@@H]([C@H](C1)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])(C([O-])=O)O[C@@H]([C@H]([C@@]2(O[C@](O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)*)[C@@H]([C@H]4O)O)CO)CO)O[C@H]5[C@@H]([C@H]([C@@H](O)[C@H](O5)CO)O[C@@H]6O[C@@H]([C@@H]([C@@H]([C@H]6O)O)O)CO)NC(C)=O)(C[C@H](O)[C@H]2NC(=O)C)C([O-])=O)[H])O)CO