CHEBI:2364 - abrusoside A

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ChEBI Name abrusoside A
ChEBI ID CHEBI:2364
Definition A triterpenoid saponin that is (22S,24Z)-3β-hydroxy-26-oxo-22,26-epoxy-9β,19-cyclolanost-24-en-28-oic acid having a β-D-glucosyl residue attached at position 3 via a glycosidic bond.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C36H54O10
Net Charge 0
Average Mass 646.80796
Monoisotopic Mass 646.37170
InChI InChI=1S/C36H54O10/c1-18-6-7-21(44-29(18)41)19(2)20-10-12-33(4)23-8-9-24-34(5,31(42)43)25(46-30-28(40)27(39)26(38)22(16-37)45-30)11-13-35(24)17-36(23,35)15-14-32(20,33)3/h6,19-28,30,37-40H,7-17H2,1-5H3,(H,42,43)/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28+,30-,32+,33-,34-,35+,36-/m0/s1
InChIKey CJHYXUPCGHKJOO-AYOTXDKCSA-N
SMILES [H][C@]1(CC=C(C)C(=O)O1)[C@@H](C)[C@@]1([H])CC[C@@]2(C)[C@]3([H])CC[C@@]4([H])[C@@](C)([C@H](CC[C@@]44C[C@@]34CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Metabolite of Species Details
Abrus precatorius (NCBI:txid3816) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing abrusoside A (CHEBI:2364) has role plant metabolite (CHEBI:76924)
abrusoside A (CHEBI:2364) is a pentacyclic triterpenoid (CHEBI:25872)
abrusoside A (CHEBI:2364) is a steroid lactone (CHEBI:26766)
abrusoside A (CHEBI:2364) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(22S,24Z)-3β-(β-D-glucopyranosyloxy)-26-oxo-22,26-epoxy-9β,19-cyclolanost-24-en-28-oic acid
Synonym Source
Abrusoside A KEGG COMPOUND
Manual Xrefs Databases
C00003496 KNApSAcK
C08920 KEGG COMPOUND
LMST01100009 LIPID MAPS
View more database links
Registry Numbers Types Sources
124962-06-7 CAS Registry Number KEGG COMPOUND
6993850 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10905867 PubMed citation Europe PMC
2691636 PubMed citation Europe PMC
Last Modified
22 January 2015