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CHEBI:27663 - convallatoxin

ChEBI IDCHEBI:27663
ChEBI Nameconvallatoxin
Stars
DefinitionA cardenolide glycoside that consists of strophanthidin having a 6-deoxy-α-L-mannopyranosyl (L-rhamnosyl) group attached at position 3.
Secondary ChEBI IDsCHEBI:3866, CHEBI:23374
Last Modified17 March 2016
DownloadsMolfile
FormulaC29H42O10
Net Charge0
Average Mass550.645
Monoisotopic Mass550.27780
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@@]12C=O
InChIInChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1
InChIKeyHULMNSIAKWANQO-JQKSAQOKSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Convallaria majalis (ncbitaxon:32189)
aerial part (BTO:0001658) PubMed (6893493)
rhizome (BTO:0001181) PubMed (6893493)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
convallatoxin (CHEBI:27663) has functional parent strophanthidin (CHEBI:38178)
convallatoxin (CHEBI:27663) has role metabolite (CHEBI:25212)
convallatoxin (CHEBI:27663) has role vasodilator agent (CHEBI:35620)
convallatoxin (CHEBI:27663) is a 14β-hydroxy steroid (CHEBI:36862)
convallatoxin (CHEBI:27663) is a 19-oxo steroid (CHEBI:38149)
convallatoxin (CHEBI:27663) is a 5β-hydroxy steroid (CHEBI:38195)
convallatoxin (CHEBI:27663) is a steroid aldehyde (CHEBI:131565)
convallatoxin (CHEBI:27663) is a steroid lactone (CHEBI:26766)
convallatoxin (CHEBI:27663) is a α-L-rhamnoside (CHEBI:27848)
IUPAC Names 
3β-(6-deoxy-α-L-mannopyranosyloxy)-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolide
3β-(α-L-rhamnopyranosyloxy)-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolide
Synonyms  Source
ConvallatoxinKEGG COMPOUND
Strophanthidin 3-O-alpha-L-rhamnosideKEGG COMPOUND
ConvallotoxinChemIDplus
CorglyconeChemIDplus
Strophanthidin, 3-(6-deoxy-alpha-L-mannopyranoside)ChemIDplus
5β,14β-Dihydroxy-19-oxo-3β[(α-L-rhamnopyranosyl)oxy]card-20,22-enolideChEBI
Manual XrefsDatabases
C08858KEGG COMPOUND
ConvallatoxinWikipedia
LMST01120013LIPID MAPS
C00003612KNApSAcK
Registry NumbersSources
Reaxys:101532Reaxys
CAS:508-75-8KEGG COMPOUND
CAS:508-75-8ChemIDplus
Citations