GOLM METABOLOME DATABASE

Details of Digoxin

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol
Role Metabolite
MPIMP IDM000306
stereoisomer 
isotopomerambient
formulaC41H64O14
molecular mass780.940
monoisotopic mass780.42961
InChIInChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1
InChIKeyLTMHDMANZUZIPE-PUGKRICDSA-N
class 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%270b9662a7-264e-4acd-94b2-9e1138c0ca5a%27)

Synonyms of Digoxin

propertyvalue
ChEBI IDChEBI:4551
ChEBI ontologyhas role anti-arrhythmia drug
ChEBI ontologyhas role cardiotonic drug
ChEBI ontologyhas role enzyme inhibitor
ChEBI ontologyhas role epitope
ChEBI ontologyis a cardenolide glycoside
ChEBI ontologyis a saponin
ChemSpider ID2006532
MAPMANDigoxin
PubChem CID2724385
14 synonym(s)

Derivatives of Digoxin

Reference substances of Digoxin

reference substancesuppliersupplier codelot
DigoxinAcros  
1 reference substance(s)

Isotopomers and stereoisomers of Digoxin

Quantitative Digoxin Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative Digoxin Profile Data

species
no qualitative metabolite profile data available!
compound timestamp information
deposited at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 10/1/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
Top