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CHEBI:234084 - O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine

ChEBI IDCHEBI:234084
ChEBI Name O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine
Stars
ASCII NameO-[N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosaminyl]-serine
DefinitionA non-proteinogenic α-amino acid that is N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine linked via an α glycosidic bond to the O at position 3 of serine.
Last Modified17 April 2025
SubmitterAdnan
DownloadsMolfile
FormulaC22H37N3O16
Net Charge0
Average Mass599.543
Monoisotopic Mass599.21738
SMILES[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](OCC(N)C(=O)O)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C22H37N3O16/c1-7(27)24-13-10(29)3-22(21(36)37,41-18(13)15(31)11(30)4-26)39-6-12-16(32)17(33)14(25-8(2)28)20(40-12)38-5-9(23)19(34)35/h9-18,20,26,29-33H,3-6,23H2,1-2H3,(H,24,27)(H,25,28)(H,34,35)(H,36,37)/t9?,10-,11+,12+,13+,14+,15+,16-,17+,18+,20-,22+/m0/s1
InChIKeyRMINQIRDFIBNLE-SYJCTWRISA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
tumour antigen  An antigenic substance produced in tumour cells, which triggers an immune response in the host.
ChEBI Ontology
Outgoing Relation(s)
O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine (CHEBI:234084) has role tumour antigen (CHEBI:144829)
O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine (CHEBI:234084) is a disaccharide derivative (CHEBI:63353)
O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine (CHEBI:234084) is a non-proteinogenic α-amino acid (CHEBI:83925)
O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine (CHEBI:234084) is a serine derivative (CHEBI:26649)
Incoming Relation(s)
O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine (CHEBI:53610) is a O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine (CHEBI:234084)
IUPAC Name 
O-[(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-nonulopyranosylonic acid)-(2→6)-2-acetamido-2-deoxy-α-D-galactopyranosyl]-serine
Synonyms  Source
sTn-SerChEBI
sialyl-TnChEBI
sTn antigenChEBI
sTnChEBI
sialyl-Tn antigenChEBI
NeuAcα2-6GalNAcα-O-SerChEBI
Citations