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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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              tetragalacturonic acid hydroxymethylester 0
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                  main group element atom 19866
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                          organic molecular entity 19775
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                                organooxygen compound 19205
                                  carbohydrates and carbohydrate derivatives 15294
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                                          carbohydrate acid ester 0
                                            tetragalacturonic acid hydroxymethylester 0
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