Details of Adenine

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Role	Metabolite
MPIMP ID	M000095
stereoisomer	no
isotopomer	ambient
formula	C5H5N5
molecular mass	135.127
monoisotopic mass	135.05449
InChI	InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKey	GFFGJBXGBJISGV-UHFFFAOYSA-N
class	Purine
application/atom+xml	http://gmd-dev.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%276379c0e0-c1bb-4087-96c5-1de281b8ea4c%27)

Synonyms of Adenine

property	value
Beilstein	5734514
BRENDA	20886
CAS	73-24-5
ChemSpider ID	185
CHLAMYCYC-ID	ADENINE
MAPMAN	Adenine
MetaCyc	ADENINE
PubChem CID	190
PubChem SID	24891349
PubChem SID	92297577
15 synonym(s)
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Derivatives of Adenine

analyte	stereoisomer	isotopomer
Adenine (2TMS)		ambient
Adenine (2TBS)		ambient
Adenine (1TMS)		ambient
Adenine (3TMS) (Derivate not found)		ambient
4 analyte(s)

Reference substances of Adenine

reference substance	supplier	supplier code	lot
Adenine	Aldrich	10,496-5	05750-120
Adenine	Sigma	A8626	124H0149
Adenine	Sigma	A8626	WXBC4019V
Adenine	Sigma	A8626	49H1067
Adenine	Sigma	A8626
5 reference substance(s)

Isotopomers and stereoisomers of Adenine

metabolite	stereoisomer	isotopomer
Adenine	no	¹³C
1 metabolite(s)

Quantitative Adenine 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
Inorganic Carbon Limitation in Cells of the Wild Type and Photorespiratory Mutants of the Cyanobacterium Synechocystis sp. Strain PCC 6803	Synechocystis.PCC	Germplasm, Time			442.64	11.55
1 quantitative metabolite profile(s)

Qualitative Adenine Profile Data

species
Synechocystis.PCC 6803.sll0171.ko
Synechocystis.PCC 6803.sll0404.ko
Synechocystis.PCC 6803.WT.none
this metabolite was recorded in 3 species

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 4/18/2017 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	Strehmel N., Hummel J., Fehrle I.

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