O-[N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosaminyl]-threonine (CHEBI:234086)

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CHEBI:234086 - O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-threonine

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ChEBI ID	CHEBI:234086
ChEBI Name	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-threonine
Stars
ASCII Name	O-[N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosaminyl]-threonine
Definition	A 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 threonine.
Last Modified	17 April 2025
Submitter	Adnan
Downloads	Molfile

Formula	C23H39N3O16
Net Charge	0
Average Mass	613.570
Monoisotopic Mass	613.23303
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](OC(C)C(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
InChI	InChI=1S/C23H39N3O16/c1-7(13(24)20(35)36)40-21-15(26-9(3)29)18(34)17(33)12(41-21)6-39-23(22(37)38)4-10(30)14(25-8(2)28)19(42-23)16(32)11(31)5-27/h7,10-19,21,27,30-34H,4-6,24H2,1-3H3,(H,25,28)(H,26,29)(H,35,36)(H,37,38)/t7?,10-,11+,12+,13?,14+,15+,16+,17-,18+,19+,21-,23+/m0/s1
InChIKey	ZHUSSJABBZXUFL-YESGZUAKSA-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]-threonine (CHEBI:234086) has role tumour antigen (CHEBI:144829)
	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-threonine (CHEBI:234086) is a disaccharide derivative (CHEBI:63353)
	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-threonine (CHEBI:234086) is a non-proteinogenic α-amino acid (CHEBI:83925)
	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-threonine (CHEBI:234086) is a threonine derivative (CHEBI:26987)
Incoming Relation(s)
Incoming Relation(s)	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-threonine (CHEBI:53611) is a O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-threonine (CHEBI:234086)

IUPAC Name
O-[(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-nonulopyranosylonic acid)-(2→6)-2-acetamido-2-deoxy-α-D-galactopyranosyl]-threonine

Synonyms	Source
NeuAcα2-6GalNAcα-O-Thr	ChEBI
sTn	ChEBI
sTn antigen	ChEBI
sTn-Thr	ChEBI
sialyl-Tn	ChEBI
sialyl-Tn antigen	ChEBI

Citations