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CHEBI:132242 - α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp

ChEBI IDCHEBI:132242
ChEBI Nameα-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp
Stars
ASCII Namealpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-O-pNp
DefinitionAn amino octasaccharide comprising four D-GlcNS(6S) 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
FormulaC54H81N5O73S10
Net Charge0
Average Mass2288.874
Monoisotopic Mass2286.99867
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]6COS(=O)(=O)O)O[C@@H]5C(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3C(=O)O)O[C@@H]2COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)O
InChIInChI=1S/C54H81N5O73S10/c60-19-11(5-111-137(93,94)95)116-47(15(20(19)61)55-133(81,82)83)123-34-25(66)27(68)52(128-40(34)44(73)74)120-30-12(6-112-138(96,97)98)117-49(16(21(30)62)56-134(84,85)86)125-35-28(69)37(131-141(105,106)107)54(129-41(35)45(75)76)122-32-14(8-114-140(102,103)104)119-50(18(23(32)64)58-136(90,91)92)126-36-29(70)38(132-142(108,109)110)53(130-42(36)46(77)78)121-31-13(7-113-139(99,100)101)118-48(17(22(31)63)57-135(87,88)89)124-33-24(65)26(67)51(127-39(33)43(71)72)115-10-3-1-9(2-4-10)59(79)80/h1-4,11-42,47-58,60-70H,5-8H2,(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)/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
InChIKeyYJLGXSZPKLDHAX-FGNJDDESSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp (CHEBI:132242) is a amino octasaccharide (CHEBI:71060)
α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp (CHEBI:132242) is a carbohydrate acid derivative (CHEBI:63436)
α-D-GlcNS(6S)-(1→4)-β-D-GlcA-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA(2S)-(1→4)-α-D-GlcNS(6S)-(1→4)-β-D-GlcA-O-pNp (CHEBI:132242) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
4-nitrophenyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl-(1→4)-2-O-sulfo-D-glucopyranosiduronic acid
Synonyms  Source
α-D-GlcpNS(6S)-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNS(6S)-(1→4)-β-D-GlcpA(2S)-(1→4)-α-D-GlcpNS(6S)-(1→4)-β-D-GlcpA(2S)-(1→4)-α-D-GlcpNS(6S)-(1→4)-β-D-GlcpA-O-pNpChEBI
HS-14ChEBI
4-nitrophenyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-β-D-glucuronosyl-(1→4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucosyl-(1→4)-2-O-sulfo-D-glucosiduronic acidChEBI
Citations