CHEBI:73220 - arabidopside B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name arabidopside B
ChEBI ID CHEBI:73220
Definition An arabidopside in which the glyceride moiety is acylated by cis-12-oxophytodienoyl groups at positions 1 and 2, and in which the and in which the carbohydrate moiety is a β-D-galactopyranosyl group. The cyclopentenone moiety of both acyl groups is cis-disubstituted.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H70O12
Net Charge 0
Average Mass 803.03010
Monoisotopic Mass 802.48673
InChI InChI=1S/C45H70O12/c1-3-5-13-21-35-32(25-27-37(35)47)19-15-9-7-11-17-23-40(49)54-30-34(31-55-45-44(53)43(52)42(51)39(29-46)57-45)56-41(50)24-18-12-8-10-16-20-33-26-28-38(48)36(33)22-14-6-4-2/h5-6,13-14,25-28,32-36,39,42-46,51-53H,3-4,7-12,15-24,29-31H2,1-2H3/b13-5-,14-6-/t32?,33?,34-,35?,36?,39-,42+,43+,44-,45-/m1/s1
InChIKey SYJOSMLJXIQXFJ-BIZWRPQDSA-N
SMILES CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCCCC2C=CC(=O)C2C\C=C/CC)C=CC1=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via arabidopside )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing arabidopside B (CHEBI:73220) is a β-D-galactoside (CHEBI:28034)
arabidopside B (CHEBI:73220) is a 1,2-diacyl-3-β-D-galactosyl-sn-glycerol (CHEBI:17615)
arabidopside B (CHEBI:73220) is a arabidopside (CHEBI:73153)
arabidopside B (CHEBI:73220) is a diester (CHEBI:51307)
Registry Numbers Types Sources
11143745 Reaxys Registry Number Reaxys
21245874 Reaxys Registry Number Reaxys
9609172 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15844959 PubMed citation Europe PMC
Last Modified
19 April 2013