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CHEBI:132241 - α-D-GlcNS-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA-O-pNp

ChEBI IDCHEBI:132241
ChEBI Nameα-D-GlcNS-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA-O-pNp
Stars
ASCII Namealpha-D-GlcNS-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-GlcA-O-pNp
DefinitionAn amino octasaccharide comprising four D-GlcNS residues, two D-GlcA(2S) residues and two D-GlcA residues (with one at the reducing end joined to 4-nitrophenol via a glycosidic linkage).
Last Modified2 August 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC54H81N5O61S6
Net Charge0
Average Mass1968.618
Monoisotopic Mass1967.17142
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@H](O[C@H]4[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]6[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)C(Oc8ccc([N+](=O)[O-])cc8)O[C@@H]7C(=O)O)O[C@@H]6CO)O[C@@H]5C(=O)O)O[C@@H]4CO)O[C@@H]3C(=O)O)O[C@@H]2CO)[C@H](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
InChIInChI=1S/C54H81N5O61S6/c60-5-11-19(64)20(65)15(55-121(85,86)87)47(104-11)111-34-25(70)27(72)52(116-40(34)44(77)78)108-30-12(6-61)105-49(16(21(30)66)56-122(88,89)90)113-35-28(73)37(119-125(97,98)99)54(117-41(35)45(79)80)110-32-14(8-63)107-50(18(23(32)68)58-124(94,95)96)114-36-29(74)38(120-126(100,101)102)53(118-42(36)46(81)82)109-31-13(7-62)106-48(17(22(31)67)57-123(91,92)93)112-33-24(69)26(71)51(115-39(33)43(75)76)103-10-3-1-9(2-4-10)59(83)84/h1-4,11-42,47-58,60-74H,5-8H2,(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+,40+,41+,42+,47-,48-,49-,50-,51?,52-,53-,54-/m1/s1
InChIKeyILLYHSGQLYSFNI-FGNJDDESSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcNS-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA-O-pNp (CHEBI:132241) is a amino octasaccharide (CHEBI:71060)
α-D-GlcNS-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA-O-pNp (CHEBI:132241) is a carbohydrate acid derivative (CHEBI:63436)
α-D-GlcNS-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS-(1→4)-β-D-GlcA-O-pNp (CHEBI:132241) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
4-nitrophenyl 2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-D-glucopyranosiduronic acid
Synonyms  Source
α-D-GlcpNS-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNS-(1→4)-β-D-GlcpA(2S)-(1→4)-α-D-GlcpNS-(1→4)-β-D-GlcpA(2S)-(1→4)-α-D-GlcpNS-(1→4)-β-D-GlcpA-O-pNpChEBI
4-nitrophenyl 2-deoxy-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-D-glucosiduronic acidChEBI
HS-10ChEBI
Citations