O-(3-O-beta-D-galactosyl-N-acetyl-alpha-D-galactosaminyl)-L-serine (CHEBI:62464)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:62464 - O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine

Take structure to advanced search

ChEBI ID	CHEBI:62464
ChEBI Name	O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine
Stars
ASCII Name	O-(3-O-beta-D-galactosyl-N-acetyl-alpha-D-galactosaminyl)-L-serine
Definition	A serine derivative that is L-serine having a 3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl moiety attached to the side-chain oxygen.
Last Modified	7 September 2017
Submitter	Gareth Owen
Downloads	Molfile

Formula	C17H30N2O13
Net Charge	0
Average Mass	470.428
Monoisotopic Mass	470.17479
SMILES	CC(=O)N[C@H]1[C@@H](OC[C@H](N)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C17H30N2O13/c1-5(22)19-9-14(32-17-13(26)12(25)10(23)7(2-20)31-17)11(24)8(3-21)30-16(9)29-4-6(18)15(27)28/h6-14,16-17,20-21,23-26H,2-4,18H2,1H3,(H,19,22)(H,27,28)/t6-,7+,8+,9+,10-,11-,12-,13+,14+,16-,17-/m0/s1
InChIKey	XDMCWZFLLGVIID-ULCOMTOUSA-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).

ChEBI Ontology

Outgoing Relation(s)
	O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine (CHEBI:62464) is a O-glycosyl-L-serine (CHEBI:21957)
	O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine (CHEBI:62464) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
	O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine (CHEBI:62464) is tautomer of O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine zwitterion (CHEBI:62465)
Incoming Relation(s)
	O³-(β-D-galactosyl-(1→3)-N-acetyl-α-D-galactosaminyl)-L-serine residue (CHEBI:137949) is substituent group from O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine (CHEBI:62464)
	O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine zwitterion (CHEBI:62465) is tautomer of O-(3-O-β-D-galactosyl-N-acetyl-α-D-galactosaminyl)-L-serine (CHEBI:62464)

IUPAC Name
(2S)-3-{[2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranosyl]oxy}-2-aminopropanoic acid

Synonyms	Source
(2S)-3-{[2-(acetylamino)-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranosyl]oxy}-2-aminopropanoic acid	IUPAC
β-D-galactosyl-3-(N-acetyl-α-D-galactosaminyl)-L-serine	ChEBI
β-Galp-(1→3)-α-GalpNAc-(1→3)-Ser	ChEBI
β-D-Galp-(1→3)-α-D-GalpNAc-O-Ser	ChEBI
O-[2-acetamido-2-deoxy-3-O-(β-D-galactopyranosyl)-α-D-galactopyranosyl]-L-serine	ChEBI
3-O-(2-acetamido-2-deoxy-3-O-β-D-galactopyranosyl-α-D-galactopyranosyl)-L-serine	ChEBI

Manual Xrefs	Databases
G12692	KEGG GLYCAN

Registry Numbers	Sources
Reaxys:4772580	Reaxys

Citations