GOLM METABOLOME DATABASE

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Details of Pentachlorophenol

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Role	Metabolite
MPIMP ID	M001429
stereoisomer
isotopomer	ambient
formula	C6HCl5O
molecular mass	266.334
monoisotopic mass	263.84701
InChI	InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey	IZUPBVBPLAPZRR-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27e8d3902f-3fcc-4c1f-9862-4f6a0b139433%27)

Synonyms of Pentachlorophenol

property	value
CAS	87-86-5
ChEBI ID	ChEBI:17642
ChEBI ontology	has functional parent pentachlorobenzene
ChEBI ontology	is a chlorophenol
ChEBI ontology	is conjugate acid of pentachlorophenolate
ChemSpider ID	967
synonym	2,3,4,5,6-pentachlorophenol
synonym	PCP
synonym	pentachlorophenol
9 synonym(s)

Derivatives of Pentachlorophenol

analyte	stereoisomer	isotopomer
Pentachlorophenol; GC-EI-TOF; MS; 1 TMS; BP:93		ambient
1 analyte(s)

Reference substances of Pentachlorophenol

reference substance	supplier	supplier code	lot
Pentachlorophenol	Aldrich	P-2604
1 reference substance(s)

Isotopomers and stereoisomers of Pentachlorophenol

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Pentachlorophenol 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 Pentachlorophenol Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 9/14/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 9/27/2012 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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