EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:146061 - α-D-GlcpNS-(1→4)-α-L-IdopA2S-(1→4)-α-D-GlcpNS6S-(1→4)-L-IdopA 2S

ChEBI IDCHEBI:146061
ChEBI Nameα-D-GlcpNS-(1→4)-α-L-IdopA2S-(1→4)-α-D-GlcpNS6S-(1→4)-L-IdopA 2S
Stars
ASCII Namealpha-D-GlcpNS-(1->4)-alpha-L-IdopA2S-(1->4)-alpha-D-GlcpNS6S-(1->4)-L-IdopA 2S
DefinitionAn oligosaccharide sulfate consisting of 2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 6-O-sulfo-2-sulfoamino-α-D-glucopyranosyl and 2-O-sulfo-L-idopyranuronic acid residues joined in sequence by (1→4) glycosidic bonds.
Last Modified25 May 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC24H40N2O36S5
Net Charge0
Average Mass1092.897
Monoisotopic Mass1091.99643
SMILESO=C(O)[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)C(O)O[C@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
WURCSWURCS=2.0/4,4,3/[a2121A-1x_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O]/1-2-3-4/a4-b1_b4-c1_c4-d1
InChIInChI=1S/C24H40N2O36S5/c27-1-3-7(28)8(29)5(25-63(38,39)40)22(54-3)59-14-11(32)16(62-67(50,51)52)24(60-18(14)20(35)36)57-12-4(2-53-65(44,45)46)55-23(6(9(12)30)26-64(41,42)43)58-13-10(31)15(61-66(47,48)49)21(37)56-17(13)19(33)34/h3-18,21-32,37H,1-2H2,(H,33,34)(H,35,36)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/t3-,4-,5-,6-,7-,8-,9-,10+,11+,12-,13+,14+,15-,16-,17-,18-,21?,22-,23-,24-/m1/s1
InChIKeyXHOIYCSPUZKTHX-BPTSZNORSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNS-(1→4)-α-L-IdopA2S-(1→4)-α-D-GlcpNS6S-(1→4)-L-IdopA 2S (CHEBI:146061) is a oligosaccharide sulfate (CHEBI:37909)
α-D-GlcpNS-(1→4)-α-L-IdopA2S-(1→4)-α-D-GlcpNS6S-(1→4)-L-IdopA 2S (CHEBI:146061) is a sulfamic acids (CHEBI:35719)
IUPAC Names 
GlcNS(a1-4)IdoA2S(a1-4)GlcNS6S(a1-4)IdoA2S
2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-α-L-idopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-L-idopyranuronic acid
Synonyms  Source
2-deoxy-2-sulfoamino-α-D-gluco-hexopyranosyl-(1→4)-2-O-sulfo-α-L-ido-hexopyranosyluronic acid-(1→4)-2-deoxy-6-O-sulfo-2-sulfoamino-α-D-gluco-hexopyranosyl-(1→4)-2-O-sulfo-L-ido-hexopyranuronic acidIUPAC
(2R,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-6-carboxy-5-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4-hydroxy-3-sulfooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-4,6-dihydroxy-5-sulfooxyoxane-2-carboxylic acidIUPAC
Manual XrefsDatabases
G00423RQGlyTouCan