EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136025 - tetragalacturonic acid hydroxymethylester

ChEBI IDCHEBI:136025
ChEBI Nametetragalacturonic acid hydroxymethylester
Stars
DefinitionA linear tetrasaccharide consisting of four hydroxymethyl α-D-galacturonosyl residues linked sequentially (1→4). It is an antihemorrhagic agent.
Last Modified8 October 2020
DownloadsMolfile
FormulaC28H42O29
Net Charge0
Average Mass842.615
Monoisotopic Mass842.18118
SMILESO=C(OCO)[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
WURCSWURCS=2.0/1,4,3/[a2112A-1a_1-5_6*OCO]/1-1-1-1/a4-b1_b4-c1_c4-d1
InChIInChI=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
InChIKeyPGQMFCVZFGJVNB-LRVJTQDXSA-N
Wikipedia
Roles Classification
Application:
hematologic agent  Drug that acts on blood and blood-forming organs and those that affect the hemostatic system.
ChEBI Ontology
Outgoing Relation(s)
tetragalacturonic acid hydroxymethylester (CHEBI:136025) has role hematologic agent (CHEBI:50248)
tetragalacturonic acid hydroxymethylester (CHEBI:136025) is a carbohydrate acid ester (CHEBI:37696)
tetragalacturonic acid hydroxymethylester (CHEBI:136025) is a tetrasaccharide (CHEBI:50126)
IUPAC Name 
hydroxymethyl 6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1→4)-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1→4)-6-(hydroxymethyl)-α-D-galactopyranuronosyl-(1→4)-α-D-galactopyranuronate
Manual XrefsDatabases
4729DrugCentral
DB13621DrugBank
Tetragalacturonic_acid_hydroxymethylesterWikipedia
Registry NumbersSources
CAS:53008-15-4ChemIDplus