GOLM METABOLOME DATABASE

- home
- search
- ms analysis
  - library search
  - prediction
- GoBioSpace
- blog
- thanks to
- publications
- imprint
- privacy policy
- contact
- help

The GMD web site use latest HTML5 features! This message indicates backward compatibility problems in GMD's mass spectra, chemical compound structure and metabolite profile visualizations. As your browser does not support the HTML5 <canvas> element, please consider to upgrade to a HTML5 ready web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, Google Chrome and Opera, to fully enjoy GMD's functionalities!

Details of Digoxin

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Role	Metabolite
MPIMP ID	M000306
stereoisomer
isotopomer	ambient
formula	C41H64O14
molecular mass	780.940
monoisotopic mass	780.42961
InChI	InChI=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
InChIKey	LTMHDMANZUZIPE-PUGKRICDSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%270b9662a7-264e-4acd-94b2-9e1138c0ca5a%27)

Synonyms of Digoxin

property	value
ChEBI ID	ChEBI:4551
ChEBI ontology	has role anti-arrhythmia drug
ChEBI ontology	has role cardiotonic drug
ChEBI ontology	has role enzyme inhibitor
ChEBI ontology	has role epitope
ChEBI ontology	is a cardenolide glycoside
ChEBI ontology	is a saponin
ChemSpider ID	2006532
MAPMAN	Digoxin
PubChem CID	2724385
14 synonym(s)
Page of 2 Results per page:

Derivatives of Digoxin

analyte	stereoisomer	isotopomer
no hits!

Reference substances of Digoxin

reference substance	supplier	supplier code	lot
Digoxin	Acros
1 reference substance(s)

Isotopomers and stereoisomers of Digoxin

metabolite	stereoisomer	isotopomer
no hits!

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.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova 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.

Show all metabolites

Top