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CHEBI:176866 - Delta4,5-unsaturated trigalacturonate

ChEBI IDCHEBI:176866
ChEBI NameDelta4,5-unsaturated trigalacturonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24O18
Net Charge0
Average Mass528.372
Monoisotopic Mass528.09626
SMILESO=C(O)C1=C[C@H](O)[C@@H](O)C(O[C@@H]2[C@H](O)[C@@H](O)C(OC3[C@@H](C(=O)O)OC(O)[C@H](O)[C@H]3O)O[C@@H]2C(=O)O)O1
InChIInChI=1S/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/t2-,4+,5+,6+,7+,8+,9?,10+,11-,12-,16?,17?,18?/m0/s1
InChIKeyOJSLFVXSYWEYPC-CPXHFYNKSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma congolense (ncbitaxon:5692) Whole Organism (NCIT:C13413) MetaboLights (MTBLS2372)
ChEBI Ontology
Outgoing Relation(s)
Delta4,5-unsaturated trigalacturonate (CHEBI:176866) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3R,4S)-2-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid