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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:tetragalacturonic acid hydroxymethylester
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Accession:CHEBI:136025 term browser browse the term
Definition:A linear tetrasaccharide consisting of four hydroxymethyl alpha-D-galacturonosyl residues linked sequentially (1->4). It is an antihemorrhagic agent.
Synonyms:exact_synonym: hydroxymethyl 6-(hydroxymethyl)-alpha-D-galactopyranuronosyl-(1->4)-6-(hydroxymethyl)-alpha-D-galactopyranuronosyl-(1->4)-6-(hydroxymethyl)-alpha-D-galactopyranuronosyl-(1->4)-alpha-D-galactopyranuronate
 related_synonym: Formula=C28H42O29;   InChI=1S/C28H42O29/c29-1-47-22(43)17-6(34)5(33)11(39)26(55-17)53-15-8(36)13(41)28(57-19(15)24(45)49-3-31)54-16-9(37)12(40)27(56-20(16)25(46)50-4-32)52-14-7(35)10(38)21(42)51-18(14)23(44)48-2-30/h5-21,26-42H,1-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21-,26-,27-,28-/m0/s1;   InChIKey=PGQMFCVZFGJVNB-LRVJTQDXSA-N;   SMILES=OCOC(=O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)OCO)O[C@@H]3C(=O)OCO)O[C@@H]2C(=O)OCO)[C@H](O)[C@@H](O)[C@H]1O
 xref: CAS:53008-15-4;   DrugBank:DB13621;   Drug_Central:4729;   Wikipedia:Tetragalacturonic_acid_hydroxymethylester


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  CHEBI ontology 19880
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              tetragalacturonic acid hydroxymethylester 0
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    subatomic particle 19878
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                  main group element atom 19817
                    p-block element atom 19817
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                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      carbohydrate acid 937
                                        carbohydrate acid derivative 209
                                          carbohydrate acid ester 0
                                            tetragalacturonic acid hydroxymethylester 0
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