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Details of Ergocalciferol

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Role	Metabolite
MPIMP ID	M001143
stereoisomer
isotopomer	ambient
formula	C28H44O
molecular mass	396.649
monoisotopic mass	396.33922
InChI	InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
InChIKey	MECHNRXZTMCUDQ-RKHKHRCZSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%277e677dc1-e1c4-4fc5-8f4a-bce1857f7e87%27)

Synonyms of Ergocalciferol

property	value
ChEBI ID	ChEBI:28934
ChEBI ontology	has role bone density conservation agent
ChEBI ontology	has role nutraceutical
ChEBI ontology	has role rodenticide
ChEBI ontology	is a hydroxy seco-steroid
ChEBI ontology	is a seco-ergostane
ChEBI ontology	is a vitamin D
ChemSpider ID	4444351
PubChem CID	5280793
PubChem SID	92298384
23 synonym(s)
Page of 3 Results per page:

Derivatives of Ergocalciferol

analyte	stereoisomer	isotopomer
Ergocalciferol (1TMS)		ambient
1 analyte(s)

Reference substances of Ergocalciferol

reference substance	supplier	supplier code	lot
No Reference substances found!

Isotopomers and stereoisomers of Ergocalciferol

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Ergocalciferol 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 Ergocalciferol Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/17/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 9/6/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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