alpha-D-Glcp-(1->3)-alpha-D-GalpNAc (CHEBI:148178)

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CHEBI:148178 - α-D-Glcp-(1→3)-α-D-GalpNAc

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ChEBI ID	CHEBI:148178
ChEBI Name	α-D-Glcp-(1→3)-α-D-GalpNAc
Stars
ASCII Name	alpha-D-Glcp-(1->3)-alpha-D-GalpNAc
Definition	An amino disaccharide consisting of α-D-glucopyranose and 2-acetamido-2-deoxyalpha-D-galactopyranose residues joined in sequence by a (1→3) glycosidic bond.
Last Modified	29 April 2020
Submitter	Gareth Owen
Downloads	Molfile

Formula	C14H25NO11
Net Charge	0
Average Mass	383.350
Monoisotopic Mass	383.14276
SMILES	CC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCS	WURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1a_1-5]/1-2/a3-b1
InChI	InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9+,10+,11-,12-,13+,14-/m1/s1
InChIKey	HMQPEDMEOBLSQB-KEHMEHAASA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-Glcp-(1→3)-α-D-GalpNAc (CHEBI:148178) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356)
	α-D-Glcp-(1→3)-α-D-GalpNAc (CHEBI:148178) has functional parent α-D-glucose (CHEBI:17925)
	α-D-Glcp-(1→3)-α-D-GalpNAc (CHEBI:148178) is a acetamides (CHEBI:22160)
	α-D-Glcp-(1→3)-α-D-GalpNAc (CHEBI:148178) is a amino disaccharide (CHEBI:22480)

IUPAC Names
2-acetamido-2-deoxy-3-O-α-D-glucopyranosyl-α-D-galactopyranose
Glc(a1-3)a-GalNAc

Synonyms	Source
N-[(2S,3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide	IUPAC
α-D-gluco-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galacto-hexopyranose	IUPAC

Manual Xrefs	Databases
G16642FB	GlyTouCan