GOLM METABOLOME DATABASE

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Details of Pantothenic acid

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Role	Metabolite
MPIMP ID	M000425
stereoisomer	D-
isotopomer	ambient
formula	C9H17NO5
molecular mass	219.235
monoisotopic mass	219.11067
InChI	InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
InChIKey	GHOKWGTUZJEAQD-ZETCQYMHSA-N
class	Acid (Hydroxy)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27450b5472-a689-4bca-9bc1-58691b72d00f%27)

Synonyms of Pantothenic acid

property	value
Beilstein	1727062
BRENDA	27869
CAS	79-83-4
ChEBI ID	ChEBI:46905
ChEBI ontology	is a pantothenic acid
ChEBI ontology	is conjugate acid of (R)-pantothenate
ChemSpider ID	6361
PubChem CID	6613
PubChem SID	92297883
synonym	(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine
21 synonym(s)
Page of 3 Results per page:

Derivatives of Pantothenic acid

analyte	stereoisomer	isotopomer
Pantothenic acid, D- (4TMS)		ambient
Pantothenic acid, D- (3TMS)		ambient
2 analyte(s)

Reference substances of Pantothenic acid

reference substance	supplier	supplier code	lot
D-Pantothenic acid hemicalcium salt	Sigma	P2250	57H1105
D-Pantothenic acid hemicalcium salt	Wako	031-14161
D-Pantothenic acid hemicalcium salt	Sigma	P2250
Pantothenic acid	Wako	198-05651
4 reference substance(s)

Isotopomers and stereoisomers of Pantothenic acid

metabolite	stereoisomer	isotopomer
Pantothenic acid	DL-	ambient
1 metabolite(s)

Quantitative Pantothenic 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
metabolic changes during developmental senescence: a case study on Arabidopsis thaliana (single leaves)	Arabidopsis	Material, Time, Total Light			373.25	10.53
1 quantitative metabolite profile(s)

Qualitative Pantothenic acid Profile Data

species
Arabidopsis thaliana.Col-0
this metabolite was recorded in 1 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 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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