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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-GlcpA-(1→4)-α-D-GlcpNS
ChEBI ID CHEBI:145615
ChEBI ASCII Name beta-D-GlcpA-(1->4)-alpha-D-GlcpNS
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C12H21NO14S
Net Charge 0
Average Mass 435.350
Monoisotopic Mass 435.06828
InChI InChI=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
InChIKey KNKWELGWBDSUOG-OYQIKJLFSA-N
SMILES S(O)(N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H](O[C@@H]1O)CO)(=O)=O
ChEBI Ontology
Outgoing 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 Sources
(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 acid IUPAC
β-D-gluco-hexopyranosyluronic acid-(1→4)-2-deoxy-2-sulfoamino-α-D-gluco-hexopyranose IUPAC
GlcA(b1-4)a-GlcNS IUPAC
WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O][a2122A-1b_1-5]/1-2/a4-b1 SUBMITTER
Manual Xrefs Databases
G47876BP GlyTouCan
G47876BP GlyGen
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Last Modified
14 January 2020