beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc (CHEBI:46280)

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CHEBI:46280 - β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc

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ChEBI ID	CHEBI:46280
ChEBI Name	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc
Stars
ASCII Name	beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc
Definition	An amino disaccharide consisting of N-acetyl-β-D-galactosamine having a 4-deoxy-α-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position.
Last Modified	25 November 2011
Downloads	Molfile

Formula	C14H21NO11
Net Charge	0
Average Mass	379.318
Monoisotopic Mass	379.11146
SMILES	CC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChI	InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1
InChIKey	DLGJWSVWTWEWBJ-MUODBDBBSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc (CHEBI:46280) is a amino disaccharide (CHEBI:22480)
	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc (CHEBI:46280) is a monocarboxylic acid (CHEBI:25384)
	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc (CHEBI:46280) is conjugate acid of β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc(1−) (CHEBI:63263)
Incoming Relation(s)
	4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) has functional parent β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc (CHEBI:46280)
	4-deoxy-Δ⁴-β-D-GlcpA2S-(1→3)-β-D-GalpNAc (CHEBI:63271) has functional parent β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc (CHEBI:46280)
	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc(1−) (CHEBI:63263) is conjugate base of β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc (CHEBI:46280)

IUPAC Name
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-β-D-galactopyranose

Synonyms	Source
(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID	PDBeChem
β-D-4-deoxy-Δ⁴-GlcA-(1→3)-β-D-GalNAc	ChEBI

Manual Xrefs	Databases
UCD	PDBeChem

Citations