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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:HP_dp06_0004
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Accession:CHEBI:138707 term browser browse the term
Definition:A heparin hexasaccharide consisting of 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, beta-D-glucopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose connected in sequence by 1->4 linkages. Sequence: DUAp2S(1-4)-a-D-GlcNp2S6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNp2S6S(1-4)-b-D-GlcAp(1-4)-a-D-GlcNp2S6S.
Synonyms:exact_synonym: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
 related_synonym: Formula=C36H57N3O54S8;   Hexa 3 octasulfated;   InChI=1S/C36H57N3O54S8/c40-5-1-6(28(47)48)82-35(19(5)92-100(72,73)74)86-21-8(3-79-98(66,67)68)84-33(12(14(21)42)39-96(60,61)62)89-24-18(46)25(93-101(75,76)77)36(91-27(24)30(51)52)87-22-9(4-80-99(69,70)71)83-32(11(15(22)43)38-95(57,58)59)88-23-16(44)17(45)34(90-26(23)29(49)50)85-20-7(2-78-97(63,64)65)81-31(53)10(13(20)41)37-94(54,55)56/h1,5,7-27,31-46,53H,2-4H2,(H,47,48)(H,49,50)(H,51,52)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/t5-,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24-,25+,26-,27+,31-,32+,33+,34+,35-,36+/m0/s1;   InChIKey=MUPYKKHZOILGHE-NLFBUPQJSA-N;   SMILES=OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(O)(=O)=O)O)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6OS(O)(=O)=O)O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)C(=O)O)COS(O)(=O)=O)O)(=O)=O;   alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S)
 xref: GlyTouCan:G92598CL;   PMID:20729345;   PMID:7717977


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  CHEBI ontology 20845
    role 20805
      chemical role 20382
        catalyst 8402
          sulfuric acid 8352
            sulfuric acid derivative 8352
              organic sulfate 2475
                carbohydrate sulfate 1951
                  oligosaccharide sulfate 2
                    HP_dp06_0004 0
Path 2
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  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      chalcogen 20477
                        oxygen atom 20443
                          oxygen molecular entity 20443
                            hydroxides 20216
                              oxoacid 19271
                                chalcogen oxoacid 13878
                                  sulfur oxoacid 13670
                                    sulfuric acid 8352
                                      sulfuric acid derivative 8352
                                        sulfates 8347
                                          organic sulfate 2475
                                            carbohydrate sulfate 1951
                                              oligosaccharide sulfate 2
                                                HP_dp06_0004 0
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