4-deoxy-Delta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc6S (CHEBI:63266)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:63266 - 4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S

Take structure to advanced search

ChEBI ID	CHEBI:63266
ChEBI Name	4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S
Stars
ASCII Name	4-deoxy-Delta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc6S
Definition	A 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose in which the galactose residue has β-configuration at the anomeric centre.
Last Modified	12 June 2020
Submitter	Gareth Owen
Downloads	Molfile

Formula	C14H21NO14S
Net Charge	0
Average Mass	459.382
Monoisotopic Mass	459.06828
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](COS(=O)(=O)O)O[C@H]1O
InChI	InChI=1S/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1
InChIKey	BUJZTFINDCQRGP-MUODBDBBSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) has functional parent 4-deoxy-Δ⁴-β-D-GlcpA (CHEBI:41893)
	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-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) is a 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose (CHEBI:16735)
	4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) is a acetamides (CHEBI:22160)
	4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) is a oligosaccharide sulfate (CHEBI:37909)
	4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) is conjugate acid of β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc6S(2−) (CHEBI:63267)
Incoming Relation(s)
Incoming Relation(s)	β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc6S(2−) (CHEBI:63267) is conjugate base of 4-deoxy-Δ⁴-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266)

IUPAC Name
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-β-D-galactopyranose

Synonyms	Source
2-(acetylamino)-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-β-D-galactopyranose	ChEBI
2-acetamido-2-deoxy-3-O-(α-L-threo-hex-4-enopyranosyluronic acid)-β-D-galactose 6-sulfate ester	ChEBI
β-D-4-deoxy-Δ⁴-GlcpA-(1→3)-β-D-GalpNAc6S	ChEBI

Registry Numbers	Sources
Reaxys:6853635	Reaxys

Citations