2-Keto-3-deoxy-6-phosphogluconic acid

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Systematic / IUPAC Name: (4S,5R)-4,5-Dihydroxy-2-oxo-6-phosphonooxyhexanoic acid

ID: Reference14043

Other Names: AA-2695

Formula: C6H11O9P

Class: Endogenous Metabolites

Spectral Data

2-Keto-3-deoxy-6-phosphogluconic 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 497
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2026 8:27:22 PM
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Identificators

InChI InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1
InChI Key OVPRPPOVAXRCED-WVZVXSGGSA-N
Canonical SMILES O=C(O)C(=O)C[C@H](O)[C@H](O)COP(=O)(O)O
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Other Names AA-2695

In Other Databases

ChEBI CHEBI:15925
HMDb HMDB01376
KEGG C04442
ChemSpider 2338483
PubChem 3080745
ChEMBL CHEMBL1162150