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CHEBI:145615 - β-D-GlcpA-(1→4)-α-D-GlcpNS

ChEBI IDCHEBI:145615
ChEBI Nameβ-D-GlcpA-(1→4)-α-D-GlcpNS
Stars
ASCII Namebeta-D-GlcpA-(1->4)-alpha-D-GlcpNS
DefinitionAn amino disaccharide consisting of β-D-glucopyranuronic acid residue joined by a (1→4) glycosidic linkage to a 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl residue.
Last Modified14 January 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H21NO14S
Net Charge0
Average Mass435.360
Monoisotopic Mass435.06828
SMILESO=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O][a2122A-1b_1-5]/1-2/a4-b1
InChIInChI=1S/C12H21NO14S/c14-1-2-8(4(15)3(11(21)25-2)13-28(22,23)24)26-12-7(18)5(16)6(17)9(27-12)10(19)20/h2-9,11-18,21H,1H2,(H,19,20)(H,22,23,24)/t2-,3-,4-,5+,6+,7-,8-,9+,11+,12-/m1/s1
InChIKeyKNKWELGWBDSUOG-OYQIKJLFSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→4)-α-D-GlcpNS (CHEBI:145615) is a amino disaccharide (CHEBI:22480)
β-D-GlcpA-(1→4)-α-D-GlcpNS (CHEBI:145615) is a glucosiduronic acid (CHEBI:24302)
β-D-GlcpA-(1→4)-α-D-GlcpNS (CHEBI:145615) is a sulfamic acids (CHEBI:35719)
IUPAC Name 
2-deoxy-4-O-β-D-glucopyranuronosyl-2-(sulfoamino)-α-D-glucopyranose
Synonyms  Source
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidIUPAC
GlcA(b1-4)a-GlcNSIUPAC
β-D-gluco-hexopyranosyluronic acid-(1→4)-2-deoxy-2-sulfoamino-α-D-gluco-hexopyranoseIUPAC
Manual XrefsDatabases
G47876BPGlyTouCan
G47876BPGlyGen