GOLM METABOLOME DATABASE

Details of Quinic acid, 5-caffeoyl-, E-

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Role Metabolite
MPIMP IDM000005
stereoisomerE-
isotopomerambient
formulaC16H18O9
molecular mass354.309
monoisotopic mass354.09509
InChIInChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1
InChIKeyCWVRJTMFETXNAD-NXLLHMKUSA-N
classConjugate (Phenylpropanoyl, Quinic)
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%27656b3e48-4f1f-4fc8-a3b2-b0fadab84af5%27)

Synonyms of Quinic acid, 5-caffeoyl-, E-

propertyvalue
BRENDA7057
CAS906-33-2
ChEBI IDChEBI:16384
ChEBI ontologyhas functional parent (-)-quinic acid
ChEBI ontologyis a cyclitol carboxylic acid
ChEBI ontologyis conjugate acid of trans-5-O-caffeoyl-D-quinate
ChemSpider ID4444237
MAPMAN5-Caffeoylquinate
PubChem CID5280633
PubChem SID92298329
18 synonym(s)

Derivatives of Quinic acid, 5-caffeoyl-, E-

Reference substances of Quinic acid, 5-caffeoyl-, E-

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No Reference substances found!

Isotopomers and stereoisomers of Quinic acid, 5-caffeoyl-, E-

Quantitative Quinic acid, 5-caffeoyl-, E- 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.
NameOrganismFactorHeatmapBox plotVarianceAnova F score
no metabolite profile(s) found.

Qualitative Quinic acid, 5-caffeoyl-, E- 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 Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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