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Details of N,N´-Trimethyleneurea

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Role	Metabolite
MPIMP ID	M001244
stereoisomer
isotopomer	ambient
formula	C4H8N2O
molecular mass	100.119
monoisotopic mass	100.06366
InChI	InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChIKey	NQPJDJVGBDHCAD-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27e82ebd40-cbc5-4bf8-8ffa-39cb85c580eb%27)

Synonyms of N,N´-Trimethyleneurea

property	value
CAS	1852-17-1
ChemSpider ID	67190
synonym	3,4,5,6-Tetrahydro-2(1H)-pyrimidinone
synonym	N,N´-Propyleneurea
synonym	N,N´-Trimethyleneurea
synonym	Tetrahydropyrimidin-2(1H)-one
6 synonym(s)

Derivatives of N,N´-Trimethyleneurea

analyte	stereoisomer	isotopomer
N,N'-Trimethyleneurea (2TMS)		ambient
1 analyte(s)

Reference substances of N,N´-Trimethyleneurea

reference substance	supplier	supplier code	lot
N,N´-Trimethyleneurea	Aldrich	92468	1419792V
1 reference substance(s)

Isotopomers and stereoisomers of N,N´-Trimethyleneurea

metabolite	stereoisomer	isotopomer
no hits!

Quantitative N,N´-Trimethyleneurea 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 N,N´-Trimethyleneurea Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 12/8/2010 by Fehrle I., 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 5/28/2018 by Fehrle I., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Hummel J., Fehrle I.

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