CHEBI:73221 - arabidopside C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name arabidopside C
ChEBI ID CHEBI:73221
Definition An arabidopside that is arabidopside A in which the hydrogen of the hydroxy group at position 6 of the β-D-galactosyl moiety is replaced by an α-D-galactosyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H76O17
Net Charge 0
Average Mass 937.11750
Monoisotopic Mass 936.50825
InChI InChI=1S/C49H76O17/c1-3-5-11-19-34-31(23-25-36(34)51)17-13-8-7-9-15-21-40(53)61-28-33(64-41(54)22-16-10-14-18-32-24-26-37(52)35(32)20-12-6-4-2)29-62-48-47(60)45(58)43(56)39(66-48)30-63-49-46(59)44(57)42(55)38(27-50)65-49/h5-6,11-12,23-26,31-35,38-39,42-50,55-60H,3-4,7-10,13-22,27-30H2,1-2H3/b11-5-,12-6-/t31?,32?,33-,34?,35?,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1
InChIKey GXTGTCSHGJLVPW-GUDILZOUSA-N
SMILES CC\C=C/CC1C(CCCCCCCC(=O)OC[C@H](CO[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)OC(=O)CCCCCC2C=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing arabidopside C (CHEBI:73221) is a β-D-galactoside (CHEBI:28034)
arabidopside C (CHEBI:73221) is a arabidopside (CHEBI:73153)
arabidopside C (CHEBI:73221) is a diester (CHEBI:51307)
arabidopside C (CHEBI:73221) is a glycoglycerolipid (CHEBI:24385)
arabidopside C (CHEBI:73221) is a glycosylgalactose derivative (CHEBI:63360)
IUPAC Name
(2S)-3-[(6-O-α-D-galactopyranosyl-β-D-galactopyranosyl)oxy]-2-[(6-{4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoyl)oxy]propyl 8-{4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate
Registry Numbers Types Sources
15872049 Reaxys Registry Number Reaxys
21245875 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15844959 PubMed citation Europe PMC
Last Modified
29 July 2020