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CHEBI:73219 - arabidopside A

ChEBI IDCHEBI:73219
ChEBI Namearabidopside A
Stars
DefinitionAn arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl and cis-dinor-oxyphytodienoyl groups at positions 1 and 2, respectively, and in which the carbohydrate moiety is a β-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted.
Last Modified19 April 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC43H66O12
Net Charge0
Average Mass774.989
Monoisotopic Mass774.45543
SMILESCC/C=C\CC1C(=O)C=CC1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCC1C=CC(=O)C1C/C=C\CC
InChIInChI=1S/C43H66O12/c1-3-5-11-19-33-30(23-25-35(33)45)17-13-8-7-9-15-21-38(47)52-28-32(29-53-43-42(51)41(50)40(49)37(27-44)55-43)54-39(48)22-16-10-14-18-31-24-26-36(46)34(31)20-12-6-4-2/h5-6,11-12,23-26,30-34,37,40-44,49-51H,3-4,7-10,13-22,27-29H2,1-2H3/b11-5-,12-6-/t30?,31?,32-,33?,34?,37-,40+,41+,42-,43-/m1/s1
InChIKeyFXAOGBMUKJMRHB-GHTRPZKCSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
arabidopside A (CHEBI:73219) is a 1,2-diacyl-3-β-D-galactosyl-sn-glycerol (CHEBI:17615)
arabidopside A (CHEBI:73219) is a arabidopside (CHEBI:73153)
arabidopside A (CHEBI:73219) is a diester (CHEBI:51307)
arabidopside A (CHEBI:73219) is a β-D-galactoside (CHEBI:28034)
Registry NumbersSources
Reaxys:9608958Reaxys
Reaxys:21245872Reaxys
Reaxys:11143744Reaxys
Citations