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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS(3S,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
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Accession:CHEBI:132243 term browser browse the term
Definition:An amino octasaccharide comprising three D-GlcNS(6S) residues, one D-GlcNS(6S) residue, two D-GlcA(2S) residues and two D-GlcA residues (with one at the reducing end joined to 4-nitrophenol via a glycosidic linkage).
Synonyms:exact_synonym: 4-nitrophenyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-D-glucopyranosiduronic acid
 related_synonym: 4-nitrophenyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucosyl-(1->4)-2-O-sulfo-beta-D-glucuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucosyl-(1->4)-2-O-sulfo-beta-D-glucuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucosyl-(1->4)-2-O-sulfo-beta-D-glucuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucosyl-(1->4)-2-O-sulfo-D-glucosiduronic acid;   Formula=C54H81N5O76S11;   HS-15;   InChI=1S/C54H81N5O76S11/c60-19-11(5-113-140(92,93)94)118-47(15(20(19)61)55-136(80,81)82)125-34-24(65)26(67)52(130-40(34)44(72)73)124-31-14(8-116-143(101,102)103)121-50(18(58-139(89,90)91)32(31)133-144(104,105)106)128-36-28(69)38(135-146(110,111)112)54(132-42(36)46(76)77)123-30-13(7-115-142(98,99)100)120-49(17(22(30)63)57-138(86,87)88)127-35-27(68)37(134-145(107,108)109)53(131-41(35)45(74)75)122-29-12(6-114-141(95,96)97)119-48(16(21(29)62)56-137(83,84)85)126-33-23(64)25(66)51(129-39(33)43(70)71)117-10-3-1-9(2-4-10)59(78)79/h1-4,11-42,47-58,60-69H,5-8H2,(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)/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;   InChIKey=DRNXELHHXZJHPN-OCLAHLCRSA-N;   SMILES=[C@H]1([C@H]([C@H](O)[C@H]([C@@H](O[C@H]2[C@H](O)[C@H]([C@@H](O[C@@H]2C(O)=O)O[C@@H]3[C@H](O[C@H](O[C@H]4[C@H](O)[C@H]([C@@H](O[C@@H]4C(O)=O)O[C@@H]5[C@H](O[C@H](O[C@H]6[C@H](O)[C@H]([C@@H](O[C@@H]6C(O)=O)O[C@@H]7[C@H](O[C@H](O[C@H]8[C@H](O)[C@H](C(O[C@@H]8C(O)=O)OC=9C=CC(=CC9)[N+]([O-])=O)O)[C@@H]([C@H]7O)NS(O)(=O)=O)COS(O)(=O)=O)OS(O)(=O)=O)[C@@H]([C@H]5O)NS(O)(=O)=O)COS(O)(=O)=O)OS(O)(=O)=O)[C@@H]([C@H]3OS(O)(=O)=O)NS(O)(=O)=O)COS(O)(=O)=O)O)O1)NS(O)(=O)=O)O)COS(O)(=O)=O;   alpha-D-GlcpNS(6S)-(1->4)-beta-D-GlcpA-(1->4)-alpha-D-GlcpNS(3S,6S)-(1->4)-beta-D-GlcpA(2S)-(1->4)-alpha-D-GlcpNS(6S)-(1->4)-beta-D-GlcpA(2S)-(1->4)-alpha-D-GlcpNS(6S)-(1->4)-beta-D-GlcpA-O-pNp
 xref: PMID:26836755


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  CHEBI ontology 19811
    role 19818
      chemical role 19422
        catalyst 8293
          sulfuric acid 8242
            sulfuric acid derivative 8242
              organic sulfate 2274
                carbohydrate sulfate 1754
                  oligosaccharide sulfate 2
                    alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS(3S,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 0
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      chalcogen 19515
                        oxygen atom 19520
                          oxygen molecular entity 19490
                            hydroxides 19300
                              oxoacid 18725
                                chalcogen oxoacid 13752
                                  sulfur oxoacid 13540
                                    sulfuric acid 8242
                                      sulfuric acid derivative 8242
                                        sulfates 8237
                                          organic sulfate 2274
                                            carbohydrate sulfate 1754
                                              oligosaccharide sulfate 2
                                                alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS(3S,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 0
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