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Showing metabocard for Diketogulonic acid (HMDB0005971)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2007-04-12 19:03:31 UTC
Update Date2023-02-21 17:17:10 UTC
HMDB IDHMDB0005971
Secondary Accession Numbers
  • HMDB05971
Metabolite Identification
Common NameDiketogulonic acid
DescriptionDiketogulonic acid (DKG) is a metabolite of the degradation of vitamin C, the nonenzymatic hydrolysis-product of dehydroascorbate. Dehydroascorbate can be reduced back to ascorbate or hydrolyzed to DKG; the latter reaction is irreversible and DKG is devoid of antiscorbutic activity. The degradation pathway of vitamin C continues to produce l-erythrulose and oxalate as final products. DKG appears in human urine and represents approximately 20% of the vitamin C by-products (oxalate being approximately 44% and dehydroascorbate 20%). A major catabolic event in man is the cleavage of the molecule (presumably a spontaneous cleavage of DKG) between C2 and C3, with little if any decarboxylation. The oxalate formed in this way may contribute to the formation of kidney stones in susceptible individuals. However, the association between ascorbate supplementation and increased risk of kidney stone formation remains a matter of controversy. (PMID: 16698813 , 17222174 )
Structure
Data?1676999830
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0005971 (Diketogulonic acid)


  Mrv1652304202019332D          

 13 12  0  0  1  0            999 V2000
   16.4459   -3.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1604   -5.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0170   -4.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8747   -3.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5892   -5.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0181   -4.4135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3036   -3.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4459   -4.0009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1604   -4.4135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7315   -4.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8747   -4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5892   -4.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3036   -4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  9  2  1  6  0  0  0
  3 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
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3D MOL for HMDB0005971 (Diketogulonic acid)

HMDB0005971
     RDKit          3D
Diketogulonic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.4493   -1.7249    0.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2503   -0.5263   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    0.2444   -0.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    0.0636    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    1.2631   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108   -0.7263    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412   -1.9326    0.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365   -0.1322    0.8015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3567   -1.1420    1.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    0.2459   -0.5755 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0027   -0.8711   -1.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890    0.7324   -0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    1.8690    0.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9476   -0.2021   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5387    0.7705    1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112   -0.7652    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383    1.0531   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849   -1.5670   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358    1.0106   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.0765   -0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    2.4138    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  1  0
  8 15  1  1
  9 16  1  0
 10 17  1  6
 11 18  1  0
 12 19  1  0
 12 20  1  0
 13 21  1  0
M  END
Download

3D SDF for HMDB0005971 (Diketogulonic acid)


  Mrv1652304202019332D          

 13 12  0  0  1  0            999 V2000
   16.4459   -3.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1604   -5.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0170   -4.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8747   -3.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5892   -5.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0181   -4.4135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3036   -3.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4459   -4.0009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1604   -4.4135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7315   -4.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8747   -4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5892   -4.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3036   -4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  9  2  1  6  0  0  0
  3 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0005971

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1

> <INCHI_KEY>
GJQWCDSAOUMKSE-STHAYSLISA-N

> <FORMULA>
C6H8O7

> <MOLECULAR_WEIGHT>
192.1235

> <EXACT_MASS>
192.02700261

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
15.881992851747036

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid

> <ALOGPS_LOGP>
-1.77

> <JCHEM_LOGP>
-1.5706350913333333

> <ALOGPS_LOGS>
-0.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.608625314428354

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3785633515230993

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9800693774085065

> <JCHEM_POLAR_SURFACE_AREA>
132.13

> <JCHEM_REFRACTIVITY>
37.038000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
diketogulonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0005971 (Diketogulonic acid)

HMDB0005971
     RDKit          3D
Diketogulonic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
    3.4493   -1.7249    0.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2503   -0.5263   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2897    0.2444   -0.5258 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135    0.0636    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7252    1.2631   -0.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108   -0.7263    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412   -1.9326    0.9596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5365   -0.1322    0.8015 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3567   -1.1420    1.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    0.2459   -0.5755 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0027   -0.8711   -1.3746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890    0.7324   -0.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    1.8690    0.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9476   -0.2021   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5387    0.7705    1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2112   -0.7652    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383    1.0531   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5849   -1.5670   -0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358    1.0106   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1345   -0.0765   -0.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    2.4138    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  1  0
  8 15  1  1
  9 16  1  0
 10 17  1  6
 11 18  1  0
 12 19  1  0
 12 20  1  0
 13 21  1  0
M  END
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PDB for HMDB0005971 (Diketogulonic acid)

HEADER    PROTEIN                                 20-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-20         0                                  
HETATM    1  O   UNK     0      30.699  -5.929   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      32.033  -9.779   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      28.032  -7.468   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      33.366  -5.929   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      34.700  -9.779   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      37.367  -8.239   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      36.033  -5.929   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      30.699  -7.468   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      32.033  -8.239   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.365  -8.239   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      33.366  -7.468   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      34.700  -8.239   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      36.033  -7.468   0.000  0.00  0.00           C+0
CONECT    1    8                                                            
CONECT    2    9                                                            
CONECT    3   10                                                            
CONECT    4   11                                                            
CONECT    5   12                                                            
CONECT    6   13                                                            
CONECT    7   13                                                            
CONECT    8    1    9   10                                                  
CONECT    9    2    8   11                                                  
CONECT   10    3    8                                                       
CONECT   11    4    9   12                                                  
CONECT   12    5   11   13                                                  
CONECT   13    6    7   12                                                  
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0005971 (Diketogulonic acid)

COMPND    HMDB0005971
HETATM    1  O1  UNL     1       3.449  -1.725   0.282  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.250  -0.526  -0.030  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.290   0.244  -0.526  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.914   0.064   0.130  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.725   1.263  -0.185  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.811  -0.726   0.647  1.00  0.00           C  
HETATM    7  O4  UNL     1       1.041  -1.933   0.960  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.536  -0.132   0.802  1.00  0.00           C  
HETATM    9  O5  UNL     1      -1.357  -1.142   1.357  1.00  0.00           O  
HETATM   10  C5  UNL     1      -1.041   0.246  -0.575  1.00  0.00           C  
HETATM   11  O6  UNL     1      -1.003  -0.871  -1.375  1.00  0.00           O  
HETATM   12  C6  UNL     1      -2.489   0.732  -0.484  1.00  0.00           C  
HETATM   13  O7  UNL     1      -2.534   1.869   0.329  1.00  0.00           O  
HETATM   14  H1  UNL     1       4.948  -0.202  -1.142  1.00  0.00           H  
HETATM   15  H2  UNL     1      -0.539   0.770   1.430  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.211  -0.765   1.686  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.438   1.053  -0.999  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.585  -1.567  -0.991  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.836   1.011  -1.486  1.00  0.00           H  
HETATM   20  H7  UNL     1      -3.135  -0.076  -0.083  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.724   2.414   0.256  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5    5    6
CONECT    6    7    7    8
CONECT    8    9   10   15
CONECT    9   16
CONECT   10   11   12   17
CONECT   11   18
CONECT   12   13   19   20
CONECT   13   21
END
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SMILES for HMDB0005971 (Diketogulonic acid)

OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O
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INCHI for HMDB0005971 (Diketogulonic acid)

InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(4R,5S)-2,3-Dioxo-4,5,6-trihydroxyhexanoic acidChEBI
(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoateChEBI
(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoic acidChEBI
2,3-Diketo-L-gulonateChEBI
2,3-Diketo-L-gulonic acidChEBI
2,3-Dioxo-2,3-dideoxy-L-gulonic acidChEBI
2,3-L-Diketogulonic acidChEBI
Diketo-L-gulonic acidChEBI
L-Threo-(2,3)-hexodiulosonsaeureChEBI
L-Threo-2,3-hexodiurosonic acidChEBI
Threo-2,3-hexodiulosonic acidChEBI
(4R,5S)-2,3-Dioxo-4,5,6-trihydroxyhexanoateGenerator
2,3-Dioxo-2,3-dideoxy-L-gulonateGenerator
2,3-L-DiketogulonateGenerator
Diketo-L-gulonateGenerator
L-Threo-2,3-hexodiurosonateGenerator
Threo-2,3-hexodiulosonateGenerator
DiketogulonateGenerator
2,3-Diketogulonic acidHMDB
2,3-Dioxo-D-gulonateHMDB
L-Threo-2,3-hexodiulosonic acidHMDB
L-Threo-hexo-2,3-diulosonic acidHMDB
Acid, 2,3-diketogulonicHMDB
2,3 Diketogulonic acidHMDB
Diketo-gulonateHMDB
2,3-DiketogulonateHMDB
Chemical FormulaC6H8O7
Average Molecular Weight192.1235
Monoisotopic Molecular Weight192.02700261
IUPAC Name(4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid
Traditional Namediketogulonic acid
CAS Registry Number3409-57-2
SMILES
OC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O
InChI Identifier
InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1
InChI KeyGJQWCDSAOUMKSE-STHAYSLISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Medium-chain keto acid
  • Beta-keto acid
  • Sugar acid
  • Acyloin
  • Alpha-keto acid
  • Alpha-diketone
  • Beta-hydroxy ketone
  • Keto acid
  • Monosaccharide
  • Alpha-hydroxy ketone
  • Ketone
  • Secondary alcohol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Polyol
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Primary alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility59.9 g/LALOGPS
logP-1.8ALOGPS
logP-1.6ChemAxon
logS-0.51ALOGPS
pKa (Strongest Acidic)2.38ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.13 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.04 m³·mol⁻¹ChemAxon
Polarizability15.88 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+141.1931661259
DarkChem[M-H]-138.29131661259
DeepCCS[M+H]+142.96630932474
DeepCCS[M-H]-140.57130932474
DeepCCS[M-2H]-173.73330932474
DeepCCS[M+Na]+148.89130932474
AllCCS[M+H]+141.132859911
AllCCS[M+H-H2O]+137.332859911
AllCCS[M+NH4]+144.632859911
AllCCS[M+Na]+145.632859911
AllCCS[M-H]-131.932859911
AllCCS[M+Na-2H]-133.032859911
AllCCS[M+HCOO]-134.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Diketogulonic acidOC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O2787.6Standard polar33892256
Diketogulonic acidOC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O1760.0Standard non polar33892256
Diketogulonic acidOC[C@H](O)[C@@H](O)C(=O)C(=O)C(O)=O1545.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Diketogulonic acid,1TMS,isomer #1C[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)C(=O)C(=O)O1645.5Semi standard non polar33892256
Diketogulonic acid,1TMS,isomer #2C[Si](C)(C)O[C@@H](CO)[C@@H](O)C(=O)C(=O)C(=O)O1669.8Semi standard non polar33892256
Diketogulonic acid,1TMS,isomer #3C[Si](C)(C)O[C@@H](C(=O)C(=O)C(=O)O)[C@@H](O)CO1643.5Semi standard non polar33892256
Diketogulonic acid,1TMS,isomer #4C[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O)[C@@H](O)CO1642.7Semi standard non polar33892256
Diketogulonic acid,1TMS,isomer #5C[Si](C)(C)OC(C(=O)C(=O)O)=C(O)[C@@H](O)CO1681.9Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)C(=O)C(=O)O1756.6Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #10C[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C)=C(O)[C@@H](O)CO1725.6Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #2C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)C(=O)C(=O)O1750.1Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #3C[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)C(=O)C(=O)O[Si](C)(C)C1750.4Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #4C[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C)C(=O)C(=O)O1744.6Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #5C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)C(=O)C(=O)C(=O)O1758.2Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #6C[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C1765.2Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #7C[Si](C)(C)OC(C(=O)C(=O)O)=C(O)[C@H](CO)O[Si](C)(C)C1765.4Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #8C[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1742.0Semi standard non polar33892256
Diketogulonic acid,2TMS,isomer #9C[Si](C)(C)OC(C(=O)C(=O)O)=C(O[Si](C)(C)C)[C@@H](O)CO1748.3Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)C(=O)C(=O)O1836.7Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@@H](O)CO1816.3Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)C(=O)C(=O)O[Si](C)(C)C1846.4Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(=O)C(=O)O1830.1Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #4C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)C(=O)C(=O)O[Si](C)(C)C1851.9Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #5C[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)C(=O)O1846.6Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #6C[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C1809.3Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1847.7Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #8C[Si](C)(C)OC(C(=O)C(=O)O)=C(O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1862.2Semi standard non polar33892256
Diketogulonic acid,3TMS,isomer #9C[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C)=C(O)[C@H](CO)O[Si](C)(C)C1819.3Semi standard non polar33892256
Diketogulonic acid,4TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)C(=O)C(=O)O[Si](C)(C)C1896.3Semi standard non polar33892256
Diketogulonic acid,4TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)C(=O)O1916.6Semi standard non polar33892256
Diketogulonic acid,4TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O)=C(O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C1861.8Semi standard non polar33892256
Diketogulonic acid,4TMS,isomer #4C[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C1894.9Semi standard non polar33892256
Diketogulonic acid,4TMS,isomer #5C[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1907.3Semi standard non polar33892256
Diketogulonic acid,5TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C1890.0Semi standard non polar33892256
Diketogulonic acid,5TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C1919.8Standard non polar33892256
Diketogulonic acid,5TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C1949.7Standard polar33892256
Diketogulonic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)C(=O)C(=O)O1901.4Semi standard non polar33892256
Diketogulonic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)C(=O)C(=O)C(=O)O1926.1Semi standard non polar33892256
Diketogulonic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](C(=O)C(=O)C(=O)O)[C@@H](O)CO1909.3Semi standard non polar33892256
Diketogulonic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O)[C@@H](O)CO1891.7Semi standard non polar33892256
Diketogulonic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(C(=O)C(=O)O)=C(O)[C@@H](O)CO1958.9Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)C(=O)C(=O)O2226.6Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(O)[C@@H](O)CO2214.2Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)C(=O)C(=O)O2224.5Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)C(=O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2197.5Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O2220.7Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)C(=O)C(=O)O2221.0Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2227.0Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(C(=O)C(=O)O)=C(O)[C@H](CO)O[Si](C)(C)C(C)(C)C2252.0Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2211.1Semi standard non polar33892256
Diketogulonic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(C(=O)C(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2244.6Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)C(=O)C(=O)O2508.5Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2517.5Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2504.4Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O2502.8Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2535.7Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O2545.3Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O)C(O)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2493.5Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2530.0Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(C(=O)C(=O)O)=C(O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2550.1Semi standard non polar33892256
Diketogulonic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(O)[C@H](CO)O[Si](C)(C)C(C)(C)C2508.0Semi standard non polar33892256
Diketogulonic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2755.1Semi standard non polar33892256
Diketogulonic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O2759.2Semi standard non polar33892256
Diketogulonic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2727.1Semi standard non polar33892256
Diketogulonic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2762.1Semi standard non polar33892256
Diketogulonic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2770.8Semi standard non polar33892256
Diketogulonic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2972.2Semi standard non polar33892256
Diketogulonic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2800.9Standard non polar33892256
Diketogulonic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C2570.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Diketogulonic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0nn9-9200000000-1cbed9b2b56caa085c4a2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Diketogulonic acid GC-MS (4 TMS) - 70eV, Positivesplash10-02or-7339800000-1615efb2d0feaa5735ea2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Diketogulonic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Diketogulonic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 10V, Positive-QTOFsplash10-004l-1900000000-1d6c68c73855ddcddb542017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 20V, Positive-QTOFsplash10-08mi-9500000000-c792fe4653b44e9ab3722017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 40V, Positive-QTOFsplash10-0ab9-9000000000-16a4d7310299656e77442017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 10V, Negative-QTOFsplash10-0g4l-9700000000-6d882e161ed0ab1a76562017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 20V, Negative-QTOFsplash10-0a4r-9300000000-c5167767732d60eead4b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 40V, Negative-QTOFsplash10-0a4i-9000000000-f6c0690482bc1a9402372017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 10V, Positive-QTOFsplash10-01c0-6900000000-f68a48e03dbb51e873732021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 20V, Positive-QTOFsplash10-11ou-9500000000-f51f88025205022293152021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 40V, Positive-QTOFsplash10-0btd-9000000000-b607173f6a4870d24b5f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 10V, Negative-QTOFsplash10-005j-7900000000-095b22b39dbcc6d9fa052021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 20V, Negative-QTOFsplash10-0pb9-9200000000-05380c64aede8d94e31b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Diketogulonic acid 40V, Negative-QTOFsplash10-0a4i-9000000000-84c78a8bd0634d2dfffc2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112185
KNApSAcK IDNot Available
Chemspider ID389343
KEGG Compound IDC04575
BioCyc IDCPD-334
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440390
PDB IDNot Available
ChEBI ID15622
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Linster CL, Van Schaftingen E: Vitamin C. Biosynthesis, recycling and degradation in mammals. FEBS J. 2007 Jan;274(1):1-22. [PubMed:17222174 ]
  2. Karkonen A, Fry SC: Effect of ascorbate and its oxidation products on H2O2 production in cell-suspension cultures of Picea abies and in the absence of cells. J Exp Bot. 2006;57(8):1633-44. Epub 2006 May 12. [PubMed:16698813 ]