GOLM METABOLOME DATABASE

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Details of Urocanic acid

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Role	Metabolite
MPIMP ID	M000847
stereoisomer	E-
isotopomer	ambient
formula	C6H6N2O2
molecular mass	138.124
monoisotopic mass	138.04293
InChI	InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey	LOIYMIARKYCTBW-OWOJBTEDSA-N
class	Acid (Imidazol)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2723a7da77-ec02-46b9-aa22-514c2b2a62e9%27)

Synonyms of Urocanic acid

property	value
BRENDA	23292
CAS	104-98-3
ChEBI ID	ChEBI:30817
ChEBI ontology	is a urocanic acid
ChEBI ontology	is conjugate acid of trans-urocanate
ChemSpider ID	643824
PubChem CID	736715
PubChem SID	92297842
synonym	(2E)-3-(1H-imidazol-4-yl)acrylic acid
synonym	(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid
17 synonym(s)
Page of 2 Results per page:

Derivatives of Urocanic acid

analyte	stereoisomer	isotopomer
[1178] urocanic acid 1 [17.468]		ambient
Acrylic acid, 4-imidazole- (2TMS)	E-	ambient
2 analyte(s)

Reference substances of Urocanic acid

reference substance	supplier	supplier code	lot
Urocanic acid	ALD	859796
Urocanic acid	Sigma	56765	43604199
2 reference substance(s)

Isotopomers and stereoisomers of Urocanic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Urocanic acid 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 Urocanic acid 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 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Hummel J.

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