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CHEBI:148104 - β-D-GlcpA2S-(1→4)-α-D-GlcpNS6S

ChEBI IDCHEBI:148104
ChEBI Nameβ-D-GlcpA2S-(1→4)-α-D-GlcpNS6S
Stars
ASCII Namebeta-D-GlcpA2S-(1->4)-alpha-D-GlcpNS6S
DefinitionAn oligosaccharide sulfate consisting of 2-O-sulfo-β-D-glucopyranuronic acid and 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose residues joined in sequence by a (1→4) glycosidic bond.
Last Modified20 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H21NO20S3
Net Charge0
Average Mass595.488
Monoisotopic Mass594.98191
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]2COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5_2*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H21NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)/t2-,3-,4-,5+,6+,7-,8+,9-,11+,12-/m1/s1
InChIKeyOHJKXVLJWUPWQG-WTJOQSAHSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA2S-(1→4)-α-D-GlcpNS6S (CHEBI:148104) is a disaccharide derivative (CHEBI:63353)
β-D-GlcpA2S-(1→4)-α-D-GlcpNS6S (CHEBI:148104) is a oligosaccharide sulfate (CHEBI:37909)
β-D-GlcpA2S-(1→4)-α-D-GlcpNS6S (CHEBI:148104) is a sulfamic acids (CHEBI:35719)
IUPAC Names 
GlcA2S(b1-4)a-GlcNS6S
2-deoxy-6-O-sulfo-2-(sulfoamino)-4-O-(2-O-sulfo-β-D-glucopyranuronosyl)-α-D-glucopyranose
Synonyms  Source
2-O-sulfo-β-D-gluco-hexopyranosyluronic acid-(1→4)-2-deoxy-6-O-sulfo-2-sulfoamino-α-D-gluco-hexopyranoseIUPAC
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acidIUPAC
Manual XrefsDatabases
G13375OBGlyTouCan
G13375OBGlyGen