Gluconic acid

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Systematic / IUPAC Name: (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoic acid

ID: Reference1226

Other Names: Pentahydroxycaproic acid;
Pentahydroxycaproate;
Gluconic acid;
Dextronic acid;
Maltonic acid ; more

Formula: C6H12O7

Class: Endogenous Metabolites

Spectral Data

Gluconic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 182
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 2:47:34 PM
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Identificators

InChI InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
InChI Key RGHNJXZEOKUKBD-SQOUGZDYSA-N
Canonical SMILES C(C(C(C(C(C(=O)O)O)O)O)O)O
CAS 526954
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Other Names Pentahydroxycaproic acid;
Pentahydroxycaproate;
Gluconic acid;
Dextronic acid;
Maltonic acid;
Glycogenic acid;
Gluconate;
Dextronate;
Glyconate;
Maltonate

In Other Databases

ChEMBL CHEMBL464345
HMDb HMDB00625
ChemIDPlus 000299274; 000299285; 000526954; 000527093; 004468024; 006485398; 018472510; 035087775; 083542863; 014906979
ChemSpider 10240
ChEBI CHEBI:33198
KEGG C08038; C11852; C12278; C13511; D00642; D00858; D00935; D01298; D02010; D02390
PubChem 10690
Wikipedia Gluconic acid