O-[N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosaminyl]-L-serine (CHEBI:53610)

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CHEBI:53610 - O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine

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ChEBI ID	CHEBI:53610
ChEBI Name	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine
Stars
ASCII Name	O-[N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosaminyl]-L-serine
Definition	A non-proteinogenic L-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 L-serine.
Last Modified	17 April 2025
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C22H37N3O16
Net Charge	0
Average Mass	599.543
Monoisotopic Mass	599.21738
SMILES	[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](OC[C@H](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/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
InChIKey	RMINQIRDFIBNLE-NNRWGFCXSA-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). 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]-L-serine (CHEBI:53610) is a O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-serine (CHEBI:234084)
	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine (CHEBI:53610) is a L-serine derivative (CHEBI:84135)
	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine (CHEBI:53610) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
Incoming Relation(s)
	O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine residue (CHEBI:53606) is substituent group from O-[N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosaminyl]-L-serine (CHEBI:53610)

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

Synonym	Source
NeuAc(α→6)GalNAc(α1→O)Ser	JCBN

Citations