(2S,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid (CHEBI:152722)

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CHEBI:152722 - (2S,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:152722
ChEBI Name	(2S,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C14H23NO15S
Net Charge	0
Average Mass	477.397
Monoisotopic Mass	477.07884
SMILES	CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O
WURCS	WURCS=2.0/2,2,1/[a2122A-1x_1-5][a2112h-1b_1-5_2NCC/3=O_4OSO/3=O/3=O]/1-2/a4-b1
InChI	InChI=1S/C14H23NO15S/c1-3(17)15-5-6(18)9(30-31(24,25)26)4(2-16)27-14(5)29-10-7(19)8(20)13(23)28-11(10)12(21)22/h4-11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6-,7-,8-,9+,10+,11+,13?,14+/m1/s1
InChIKey	JBVIUGUISHJSBG-ZSFHLZDCSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4,5,6-trihydroxyoxane-2-carboxylic acid (CHEBI:152722) is a N-acyl-hexosamine (CHEBI:21656)

Synonyms	Source
GalNAc4S(b1-4)GlcA	SUBMITTER
2-acetamido-2-deoxy-4-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranuronic acid	SUBMITTER

Manual Xrefs	Databases
G66093JS	GlyTouCan
G66093JS	GlyGen