MiMeDB: Showing metabocard for 2-Dehydro-3-deoxy-D-galactonate 6-phosphate (MMDBc0031748)

Microbial

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:47:39 UTC

Update Date

2022-08-31 18:24:15 UTC

Metabolite ID

MMDBc0031748

Metabolite Identification

Common Name

2-Dehydro-3-deoxy-D-galactonate 6-phosphate

Description

2-Dehydro-3-deoxy-D-galactonate-6-phosphate is a member of the chemical class known as Organophosphate Esters. These are organic compounds containing phosphoric acid ester functional group. It is a substrate for 2-dehydro-3-deoxy-6-phosphogalactonate aldolase which breaks it down to pyruvate and D-glyceraldehyde 3-phosphate. It is a product of carbohydrate acid metabolism, specifically D-galactonate degradation.

Structure

MOL SDF PDB SMILES InChI


  Mrv1533005141515392D          

 16 15  0  0  0  0            999 V2000
   -2.0651    1.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3026    0.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8902   -0.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0651   -0.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3028    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1278    2.0985    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8903    2.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3028   -0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1278   -0.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8903   -1.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0653   -1.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4073   -1.4740    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3745   -2.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3964   -0.6257    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.5823   -1.4743    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  1  0  0  0  0
  1  2  2  0  0  0  0
  6  8  2  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  9 11  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  3   7  -1  15  -1  16  -1
M  END
> <DATABASE_ID>
MMDBc0031748

> <DATABASE_NAME>
MIME

> <SMILES>
OC(COP([O-])([O-])=O)C(O)CC(=O)C([O-])=O

> <INCHI_IDENTIFIER>
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)/p-3

> <INCHI_KEY>
OVPRPPOVAXRCED-UHFFFAOYSA-K

> <FORMULA>
C6H8O9P

> <MOLECULAR_WEIGHT>
255.096

> <EXACT_MASS>
254.992239575

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
19.08492126816899

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,5-dihydroxy-2-oxo-6-(phosphonatooxy)hexanoate

> <ALOGPS_LOGP>
-1.35

> <JCHEM_LOGP>
-1.8985972716666666

> <ALOGPS_LOGS>
-0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.98091974057207

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.479791419702818

> <JCHEM_PKA_STRONGEST_BASIC>
-3.266803065880614

> <JCHEM_POLAR_SURFACE_AREA>
170.07999999999998

> <JCHEM_REFRACTIVITY>
55.782900000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,5-dihydroxy-2-oxo-6-(phosphonatooxy)hexanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 14-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-MAY-15         0                                  
HETATM    1  O   UNK     0      -3.855   2.584   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -5.395   2.584   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.165   1.250   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.395  -0.084   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.855  -0.084   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -6.165   3.917   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -7.705   3.917   0.000  0.00  0.00           O-1
HETATM    8  O   UNK     0      -5.395   5.251   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -6.165  -1.417   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -7.705  -1.417   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -5.395  -2.751   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -3.855  -2.751   0.000  0.00  0.00           O+0
HETATM   13  P   UNK     0      -2.627  -2.751   0.000  0.00  0.00           P+0
HETATM   14  O   UNK     0      -2.566  -4.294   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -2.607  -1.168   0.000  0.00  0.00           O-1
HETATM   16  O   UNK     0      -1.087  -2.752   0.000  0.00  0.00           O-1
CONECT    1    2                                                            
CONECT    2    3    6    1                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4                                                            
CONECT    6    2    8    7                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    4   11   10                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   15   16   12   14                                             
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   13                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

Synonyms

Value	Source
2-Dehydro-3-deoxy-D-galactonic acid 6-phosphoric acid	Generator

Molecular Formula

C₆H₈O₉P

Average Mass

255.096

Monoisotopic Mass

254.992239575

IUPAC Name

4,5-dihydroxy-2-oxo-6-(phosphonatooxy)hexanoate

Traditional Name

4,5-dihydroxy-2-oxo-6-(phosphonatooxy)hexanoate

CAS Registry Number

Not Available

SMILES

OC(COP([O-])([O-])=O)C(O)CC(=O)C([O-])=O

InChI Identifier

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)/p-3

InChI Key

OVPRPPOVAXRCED-UHFFFAOYSA-K

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Keto acids and derivatives

Sub Class

Medium-chain keto acids and derivatives

Direct Parent

Medium-chain keto acids and derivatives

Alternative Parents

Substituents

Medium-chain keto acid
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Beta-hydroxy ketone
Alpha-keto acid
Secondary alcohol
Ketone
1,2-diol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Organic anion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

a small molecule (DEHYDRO-DEOXY-GALACTONATE-PHOSPHATE )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	48.5 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-1.9	ChemAxon
logS	-0.8	ALOGPS
pKa (Strongest Acidic)	1.48	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	170.08 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	55.78 m³·mol⁻¹	ChemAxon
Polarizability	19.08 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	410.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	207.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	75.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	355.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	248.6
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	298.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	960.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	291.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	888.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	161.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	215.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	171.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	54.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	419.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	674.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	57.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	184.3
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	868.6
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	615.6

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_1	C[Si](C)(C)OC(COP(=O)([O-])[O-])C(O)CC(=O)C(=O)[O-]	standard non polar	2025-10-24	1982.54
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_2	C[Si](C)(C)OC(CC(=O)C(=O)[O-])C(O)COP(=O)([O-])[O-]	standard non polar	2025-10-24	2269.0
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_3	C[Si](C)(C)OC(=CC(O)C(O)COP(=O)([O-])[O-])C(=O)[O-]	standard non polar	2025-10-24	1683.46
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_4	C[Si](C)(C)OC(COP(=O)([O-])[O-])C(CC(=O)C(=O)[O-])O[Si](C)(C)C	standard non polar	2025-10-24	2234.35
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_5	C[Si](C)(C)OC(=CC(O)C(COP(=O)([O-])[O-])O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-24	2374.05
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_6	C[Si](C)(C)OC(=CC(O[Si](C)(C)C)C(O)COP(=O)([O-])[O-])C(=O)[O-]	standard non polar	2025-10-24	1991.79
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_7	C[Si](C)(C)OC(=CC(O[Si](C)(C)C)C(COP(=O)([O-])[O-])O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-24	1905.12
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_1	C[Si](C)(C)OC(COP(=O)([O-])[O-])C(O)CC(=O)C(=O)[O-]	standard polar	2025-10-24	2214.55
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_2	C[Si](C)(C)OC(CC(=O)C(=O)[O-])C(O)COP(=O)([O-])[O-]	standard polar	2025-10-24	2049.93
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_3	C[Si](C)(C)OC(=CC(O)C(O)COP(=O)([O-])[O-])C(=O)[O-]	standard polar	2025-10-24	2508.96
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_4	C[Si](C)(C)OC(COP(=O)([O-])[O-])C(CC(=O)C(=O)[O-])O[Si](C)(C)C	standard polar	2025-10-24	1595.7
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_5	C[Si](C)(C)OC(=CC(O)C(COP(=O)([O-])[O-])O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-24	2669.45
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_6	C[Si](C)(C)OC(=CC(O[Si](C)(C)C)C(O)COP(=O)([O-])[O-])C(=O)[O-]	standard polar	2025-10-24	1945.52
Gas Chromatography	2-Dehydro-3-deoxy-D-galactonate 6-phosphate_TMS_7	C[Si](C)(C)OC(=CC(O[Si](C)(C)C)C(COP(=O)([O-])[O-])O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-24	1605.3

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Galactitol and Galactonate Degradation
Galactonate utilization: dgoR, dgoK, dgoA, dgoD, dgoT		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Escherichia coli CFT073 Ochrobactrum anthropi Klebsiella pneumoniae Saccharopolyspora erythraea NRRL 2338 Bacteroides thetaiotaomicron Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Burkholderia cepacia Pseudomonas fluorescens Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Acidiphilium cryptum Citrobacter koseri Shigella flexneri Shigella sonnei Fusobacterium ulcerans Moorella thermoacetica Roseobacter denitrificans Enterococcus durans Burkholderia vietnamiensis Enterobacter cancerogenus Achromobacter xylosoxidans Burkholderia multivorans Dorea longicatena Burkholderia cenocepacia Citrobacter youngae Escherichia albertii Agrobacterium tumefaciens Klebsiella variicola Achromobacter xylosoxidans A8 Agrobacterium tumefaciens str. C58 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Cronobacter sakazakii ATCC BAA-894 Dyadobacter fermentans DSM 18053 Enterobacter cloacae subsp. cloacae ATCC 13047 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia fergusonii ATCC 35469 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Escherichia coli 042 Pseudomonas fluorescens Pf0-1 Pseudomonas fluorescens SBW25 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Spirosoma linguale Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Burkholderia cepacia GG4 Succinatimonas hippei Succinatimonas hippei YIT 12066 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter youngae ATCC 29220 Enterobacter hormaechei Klebsiella aerogenes Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Hafnia alvei Hafnia alvei ATCC 51873 Brevibacterium casei Brevibacterium linens Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 [Clostridium] hylemonae DSM 15053 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Rhodococcus opacus B4 Paraburkholderia graminis C4D1M Klebsiella aerogenes KCTC 2190 Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidovorax citrulli AAC00-1 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Vibrio fischeri MJ11 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Beijerinckia indica subsp. indica ATCC 9039 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Brucella melitensis bv. 1 str. 16M Brucella abortus bv. 1 str. 9-941 Brucella ovis ATCC 25840 Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella abortus S19 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Dinoroseobacter shibae DFL 12 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia billingiae Eb661 Gluconacetobacter diazotrophicus PAl 5 Hyphomonas neptunium ATCC 15444 Jannaschia sp. CCS1 Klebsiella pneumoniae 342 Marinomonas posidonica IVIA-Po-181 Methylobacterium nodulans ORS 2060 Xanthomonas axonopodis pv. citri str. 306 Paracoccus denitrificans PD1222 Pectobacterium atrosepticum SCRI1043 Phenylobacterium zucineum HLK1 Polaromonas sp. JS666 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas fulva 12-X Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Shewanella woodyi ATCC 51908 Shigella flexneri 2a str. 301 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingobium japonicum UT26S Sphingopyxis alaskensis RB2256 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus YJ016 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Chania multitudinisentens RB-25 Hungatella hathewayi DSM 13479

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018317	2-Keto-3-deoxy-D-gluconic acid	2-Dehydro-3-deoxy-D-galactonate 6-phosphate	2-dehydro-3-deoxygalactonokinase	Phosphorylation	PathBank	31602464
MMDBr0018318	2-Dehydro-3-deoxy-D-galactonate 6-phosphate	D-Glyceraldehyde 3-phosphate	2-dehydro-3-deoxy-6-phosphogalactonate aldolase	Aldol addition (or reverse)	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human stool	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	135	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human stool	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	61	Human feces; Human ; Human nasopharyngeal swab; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	61	Human feces; Human appendix biopsy; Human ; Human gastric fluid; Human saliva; Human subgingival plaque; Human supragingival plaque; Human stool	Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	133	Human feces; Human ; Human subgingival plaque; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	4	Human feces; Human	Metabolic reconstruction
Archaea	Crenarchaeota	2	Human feces
Archaea/Archaea	Euryarchaeota	2
Archaea/Archaea	Crenarchaeota	2	Human feces

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25203281

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 2-Dehydro-3-deoxy-D-galactonate 6-phosphate (MMDBc0031748)

MOL for #<Metabolite:0x00007fadb53e7938>

3D MOL for #<Metabolite:0x00007fadb53e7938>

3D SDF for #<Metabolite:0x00007fadb53e7938>

3D-SDF for #<Metabolite:0x00007fadb53e7938>

PDB for #<Metabolite:0x00007fadb53e7938>

3D PDB for #<Metabolite:0x00007fadb53e7938>

SMILES for #<Metabolite:0x00007fadb53e7938>

INCHI for #<Metabolite:0x00007fadb53e7938>

Structure for #<Metabolite:0x00007fadb53e7938>

3D Structure for #<Metabolite:0x00007fadb53e7938>