CHEBI:167137 - quillaic acid 28-β-D-glucoside

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ChEBI Name quillaic acid 28-β-D-glucoside
ChEBI ID CHEBI:167137
ChEBI ASCII Name quillaic acid 28-beta-D-glucoside
Definition A β-D-glucoside that is quillaic acid in which the carboxy group at position 28 is substituted by a β-D-glucopyranoside group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C36H56O10
Net Charge 0
Average Mass 648.834
Monoisotopic Mass 648.38735
InChI InChI=1S/C36H56O10/c1-31(2)13-14-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)20(15-31)19-7-8-23-32(3)11-10-24(39)33(4,18-38)22(32)9-12-34(23,5)35(19,6)16-25(36)40/h7,18,20-29,37,39-43H,8-17H2,1-6H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,32-,33-,34+,35+,36+/m0/s1
InChIKey ZVZVUYATPFOSIP-GTECIAEHSA-N
SMILES [H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(C=O)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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 quillaic acid 28-β-D-glucoside (CHEBI:167137) has functional parent quillaic acid (CHEBI:8710)
quillaic acid 28-β-D-glucoside (CHEBI:167137) has role plant metabolite (CHEBI:76924)
quillaic acid 28-β-D-glucoside (CHEBI:167137) is a β-D-glucoside (CHEBI:22798)
quillaic acid 28-β-D-glucoside (CHEBI:167137) is a monosaccharide derivative (CHEBI:63367)
quillaic acid 28-β-D-glucoside (CHEBI:167137) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
1-O-(3β,16α-dihydroxy-23,28-dioxoolean-12-en-28-yl)-β-D-glucopyranose
Synonym Source
quillaic acid 28-β-D-glucoside UniProt
Citation Waiting for Citations Type Source
17172290 PubMed citation SUBMITTER
Last Modified
27 January 2021