CHEBI:147163 - Neu5Ac-(α-2→3)-D-GalpNAc

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Neu5Ac-(α-2→3)-D-GalpNAc
ChEBI ID CHEBI:147163
ChEBI ASCII Name Neu5Ac-(alpha-2->3)-D-GalpNAc
Definition An aminodisaccharide consisting of N-acetylneuraminic acid and 2-acetamido-2-deoxy-D-galactopyranose joined in sequence by a (2→3) glycosidic bond.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C19H32N2O14
Net Charge 0
Average Mass 512.465
Monoisotopic Mass 512.18535
InChI InChI=1S/C19H32N2O14/c1-6(24)20-11-8(26)3-19(18(31)32,34-15(11)13(28)9(27)4-22)35-16-12(21-7(2)25)17(30)33-10(5-23)14(16)29/h8-17,22-23,26-30H,3-5H2,1-2H3,(H,20,24)(H,21,25)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17?,19-/m0/s1
InChIKey VTLBCLWKEJHOEE-LMNBVLNHSA-N
SMILES O1[C@](O[C@@H]2[C@@H](NC(=O)C)C(O[C@@H]([C@@H]2O)CO)O)(C[C@H](O)[C@@H](NC(=O)C)[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a acetamides (CHEBI:22160)
Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a amino disaccharide (CHEBI:22480)
Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a monocarboxylic acid (CHEBI:25384)
Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a neuraminic acids (CHEBI:25508)
IUPAC Names
2-acetamido-3-O-(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl)-2-deoxy-D-galactopyranose
NeuAc(a2-3)GalNAc
Synonyms Sources
(2S,4S,5R,6R)-5-acetamido-2-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid IUPAC
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-2-acetamido-2-deoxy-D-galacto-hexopyranose IUPAC
WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a3-b2 SUBMITTER
Manual Xrefs Databases
G02367 KEGG GLYCAN
G07489IL GlyTouCan
G07489IL GlyGen
View more database links
Last Modified
25 May 2020