CHEBI:185951 - 28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside
ChEBI ID CHEBI:185951
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H64O12
Net Charge 0
Average Mass 748.951
Monoisotopic Mass 748.43978
InChI InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,20,23-35,42-48H,2,9-19H2,1,3-7H3
InChIKey TXWFEKCXGJREKU-UHFFFAOYSA-N
SMILES O(C1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5=C)C)C(OC6OC(C(O)C(O)C6O)CO)=O)=CC3)C)(CC2)C)(CC1)C)(C)C)C7OCC(O)C(O)C7O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
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 saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 28-Glucosyl-19(29)-dehydroursolic acid 3-arabinoside (CHEBI:185951) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6a,6b,9,9,12a-hexamethyl-1-methylidene-10-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Manual Xref Database
HMDB0038019 HMDB
View more database links