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Details of Glycocholic acid

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Role	Metabolite
MPIMP ID	M000863
stereoisomer
isotopomer	ambient
formula	C26H43NO6
molecular mass	465.624
monoisotopic mass	465.30904
InChI	InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18?,19?,20-,21+,24?,25+,26-/m1/s1
InChIKey	RFDAIACWWDREDC-NLKBZSSJSA-N
class	Terpenoid (Sterol)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%271e70b411-c2d8-4fbd-8281-9eaff88c8c66%27)

Synonyms of Glycocholic acid

property	value
CAS	475-31-0
ChemSpider ID	24534250
PubChem SID	92298243
synonym	[(3alpha,7alpha,12alpha-Trihydroxy-24-oxocholan-24-yl)amino]acetic acid
synonym	Glycine, N-[(3alpha-,5beta-,7alpha-,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]-
synonym	Glycine, N-[(3alpha-,5beta-,7alpha-,12alpha-)-3,7,12-trihydroxy-24-oxocholan-24-yl]- (9CI)
synonym	Glycocholic acid
7 synonym(s)

Derivatives of Glycocholic acid

analyte	stereoisomer	isotopomer
no hits!

Reference substances of Glycocholic acid

reference substance	supplier	supplier code	lot
Glycocholic acid hydrate	Fluka	50540	20704040
1 reference substance(s)

Isotopomers and stereoisomers of Glycocholic acid

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Glycocholic 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 Glycocholic acid Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 12/5/2006 by Kopka J., 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 8/11/2011 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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