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Details of Vitamin D3

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Role	Metabolite
MPIMP ID	M001298
stereoisomer
isotopomer	ambient
formula	C27H44O
molecular mass	384.639
monoisotopic mass	384.33922
InChI	InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
InChIKey	QYSXJUFSXHHAJI-YRZJJWOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27c6f1d4a8-f865-4ce5-8f70-14e4f66516ba%27)

Synonyms of Vitamin D3

property	value
CAS	67-97-0
ChEBI ID	ChEBI:28940
ChEBI ontology	is a hydroxy seco-steroid
ChEBI ontology	is a seco-cholestane
ChEBI ontology	is a vitamin D
ChemSpider ID	4444353
MetaCyc	VITAMIN_D3
PubChem CID	5280795
PubChem SID	24893192
synonym	()-Vitamin D3
23 synonym(s)
Page of 3 Results per page:

Derivatives of Vitamin D3

analyte	stereoisomer	isotopomer
[5280795] cholecalciferol 1 [26.543]		ambient
[5280795] cholecalciferol 2 [27.482]		ambient
2 analyte(s)

Reference substances of Vitamin D3

reference substance	supplier	supplier code	lot
Vitamin D3	Sigma	C9756	092K0789
Vitamin D3	Sigma	C9756	092K0789
Vitamin D3	Merck		K90114723 404
Vitamin D3	Aldrich	V380-8	20331AI BI
4 reference substance(s)

Isotopomers and stereoisomers of Vitamin D3

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Vitamin D3 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 Vitamin D3 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 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Fehrle I., Hummel J.

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