MiMeDB: Showing metabocard for Aldehydo-D-galacturonate (MMDBc0000321)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-10-28 18:35:35 UTC

Update Date

2025-10-07 16:04:22 UTC

Metabolite ID

MMDBc0000321

Metabolite Identification

Common Name

Aldehydo-D-galacturonate

Description

Aldehydo-D-galacturonate is a carbohydrate metabolite belonging to the class of uronic acids. There is limited literature available on this specific metabolite, indicating a need for further research to elucidate its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI


  Mrv1533005151517122D          

 14 13  0  0  0  0            999 V2000
   -1.7861    1.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3572   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  CHG  1  13  -1
M  END
> <DATABASE_ID>
MMDBc0000321

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4+,5-/m0/s1

> <INCHI_KEY>
IAJILQKETJEXLJ-RSJOWCBRSA-M

> <FORMULA>
C6H9O7

> <MOLECULAR_WEIGHT>
193.132

> <EXACT_MASS>
193.03537621

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.775948848009548

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate

> <ALOGPS_LOGP>
-1.76

> <JCHEM_LOGP>
-3.248086025

> <ALOGPS_LOGS>
0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.262057101736255

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.237887361089809

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6897568428527263

> <JCHEM_POLAR_SURFACE_AREA>
138.12

> <JCHEM_REFRACTIVITY>
48.0501

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.65e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-galacturonate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-15         0                                  
HETATM    1  H   UNK     0      -3.334   1.925   0.000  0.00  0.00           H+0
HETATM    2  C   UNK     0      -3.334   0.385   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -4.668  -0.385   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -2.001  -0.385   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.001  -1.925   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.667   0.385   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.667   1.925   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.667  -0.385   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.667  -1.925   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.001   0.385   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.001   1.925   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       3.334  -0.385   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.668   0.385   0.000  0.00  0.00           O-1
HETATM   14  O   UNK     0       3.334  -1.925   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

Synonyms

Value	Source
D-Galacturonate	ChEBI
D-Galacturonic acid	Generator
Aldehydo-D-galacturonic acid	Generator

Molecular Formula

C₆H₉O₇

Average Mass

193.132

Monoisotopic Mass

193.03537621

IUPAC Name

(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate

Traditional Name

D-galacturonate

CAS Registry Number

Not Available

SMILES

[H]C(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C([O-])=O

InChI Identifier

InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/p-1/t2-,3+,4+,5-/m0/s1

InChI Key

IAJILQKETJEXLJ-RSJOWCBRSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glucuronic acid derivatives

Alternative Parents

Substituents

Glucuronic acid or derivatives
Hexose monosaccharide
Medium-chain hydroxy acid
Medium-chain fatty acid
Beta-hydroxy acid
Hydroxy fatty acid
Beta-hydroxy aldehyde
Fatty acyl
Fatty acid
Monosaccharide
Hydroxy acid
Alpha-hydroxyaldehyde
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Polyol
Monocarboxylic acid or derivatives
Alcohol
Carbonyl group
Hydrocarbon derivative
Aldehyde
Organic oxide
Organic anion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

galacturonate (CHEBI:12952 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	265 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-3.2	ChemAxon
logS	0.1	ALOGPS
pKa (Strongest Acidic)	3.24	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	138.12 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	48.05 m³·mol⁻¹	ChemAxon
Polarizability	15.78 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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0006-0900000000-d32ac283eddf8d118ac4	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03ec-6900000000-65efed96539ac8f7de90	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08fu-9200000000-6ab5790c1a28b16965ae	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4r-8900000000-da2e328cfc2f83576ceb	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4r-9500000000-13edacaa5df431f95037	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9100000000-bd98ed8ba8480e0f0c15	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-18	View Spectrum

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	353.2
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	272.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	45.9
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	259.3
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	289.8
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	353.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	689.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	559.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	1004.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	184.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	331.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	198.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	33.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	417.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	686.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	87.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	296.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	931.8
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	645.0

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Aldehydo-D-galacturonate_TMS_1	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	2063.75
Gas Chromatography	Aldehydo-D-galacturonate_TMS_2	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C=O	standard non polar	2025-10-23	2164.76
Gas Chromatography	Aldehydo-D-galacturonate_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)[O-])[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-23	2117.5
Gas Chromatography	Aldehydo-D-galacturonate_TMS_4	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-23	2208.67
Gas Chromatography	Aldehydo-D-galacturonate_TMS_5	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	2069.89
Gas Chromatography	Aldehydo-D-galacturonate_TMS_6	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)[O-])[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-23	1668.83
Gas Chromatography	Aldehydo-D-galacturonate_TMS_7	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	1482.0
Gas Chromatography	Aldehydo-D-galacturonate_TMS_8	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-23	2080.7
Gas Chromatography	Aldehydo-D-galacturonate_TMS_9	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	2009.73
Gas Chromatography	Aldehydo-D-galacturonate_TMS_10	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)[O-])[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard non polar	2025-10-23	2052.64
Gas Chromatography	Aldehydo-D-galacturonate_TMS_11	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard non polar	2025-10-23	2260.27
Gas Chromatography	Aldehydo-D-galacturonate_TMS_12	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	2235.36
Gas Chromatography	Aldehydo-D-galacturonate_TMS_13	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-23	1871.2
Gas Chromatography	Aldehydo-D-galacturonate_TMS_14	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	1977.24
Gas Chromatography	Aldehydo-D-galacturonate_TMS_15	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	1912.14
Gas Chromatography	Aldehydo-D-galacturonate_TMS_16	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-23	1914.51
Gas Chromatography	Aldehydo-D-galacturonate_TMS_17	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-23	1857.73
Gas Chromatography	Aldehydo-D-galacturonate_TMS_18	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	1736.13
Gas Chromatography	Aldehydo-D-galacturonate_TMS_19	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-23	2087.1
Gas Chromatography	Aldehydo-D-galacturonate_TMS_20	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	1854.18
Gas Chromatography	Aldehydo-D-galacturonate_TMS_21	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	2334.41
Gas Chromatography	Aldehydo-D-galacturonate_TMS_22	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard non polar	2025-10-23	2622.15
Gas Chromatography	Aldehydo-D-galacturonate_TMS_23	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	1382.03
Gas Chromatography	Aldehydo-D-galacturonate_TMS_24	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	2116.85
Gas Chromatography	Aldehydo-D-galacturonate_TMS_25	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	2545.79
Gas Chromatography	Aldehydo-D-galacturonate_TMS_26	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-23	2296.09
Gas Chromatography	Aldehydo-D-galacturonate_TMS_27	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard non polar	2025-10-23	2086.43
Gas Chromatography	Aldehydo-D-galacturonate_TMS_28	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	2169.31
Gas Chromatography	Aldehydo-D-galacturonate_TMS_29	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	1810.82
Gas Chromatography	Aldehydo-D-galacturonate_TMS_30	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	2642.64
Gas Chromatography	Aldehydo-D-galacturonate_TMS_31	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard non polar	2025-10-23	2692.26
Gas Chromatography	Aldehydo-D-galacturonate_TMS_1	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	2173.34
Gas Chromatography	Aldehydo-D-galacturonate_TMS_2	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C=O	standard polar	2025-10-23	1780.28
Gas Chromatography	Aldehydo-D-galacturonate_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)[O-])[C@H](O)[C@@H](O)C=O	standard polar	2025-10-23	2113.66
Gas Chromatography	Aldehydo-D-galacturonate_TMS_4	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-23	2441.93
Gas Chromatography	Aldehydo-D-galacturonate_TMS_5	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	1883.2
Gas Chromatography	Aldehydo-D-galacturonate_TMS_6	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C(=O)[O-])[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-23	1967.52
Gas Chromatography	Aldehydo-D-galacturonate_TMS_7	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	2027.24
Gas Chromatography	Aldehydo-D-galacturonate_TMS_8	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-23	2592.62
Gas Chromatography	Aldehydo-D-galacturonate_TMS_9	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	1801.26
Gas Chromatography	Aldehydo-D-galacturonate_TMS_10	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)[O-])[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard polar	2025-10-23	2513.74
Gas Chromatography	Aldehydo-D-galacturonate_TMS_11	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard polar	2025-10-23	1507.64
Gas Chromatography	Aldehydo-D-galacturonate_TMS_12	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	2740.94
Gas Chromatography	Aldehydo-D-galacturonate_TMS_13	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-23	1827.78
Gas Chromatography	Aldehydo-D-galacturonate_TMS_14	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	1975.0
Gas Chromatography	Aldehydo-D-galacturonate_TMS_15	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	2376.56
Gas Chromatography	Aldehydo-D-galacturonate_TMS_16	C[Si](C)(C)O[C@@H]([C@H](O)C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-23	2800.85
Gas Chromatography	Aldehydo-D-galacturonate_TMS_17	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-23	2144.37
Gas Chromatography	Aldehydo-D-galacturonate_TMS_18	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	1488.36
Gas Chromatography	Aldehydo-D-galacturonate_TMS_19	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-23	1985.85
Gas Chromatography	Aldehydo-D-galacturonate_TMS_20	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	2123.53
Gas Chromatography	Aldehydo-D-galacturonate_TMS_21	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	2146.68
Gas Chromatography	Aldehydo-D-galacturonate_TMS_22	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard polar	2025-10-23	2188.57
Gas Chromatography	Aldehydo-D-galacturonate_TMS_23	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	2034.27
Gas Chromatography	Aldehydo-D-galacturonate_TMS_24	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	1926.3
Gas Chromatography	Aldehydo-D-galacturonate_TMS_25	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	1323.12
Gas Chromatography	Aldehydo-D-galacturonate_TMS_26	C[Si](C)(C)O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-23	2580.61
Gas Chromatography	Aldehydo-D-galacturonate_TMS_27	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)C(=O)[O-]	standard polar	2025-10-23	1878.78
Gas Chromatography	Aldehydo-D-galacturonate_TMS_28	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	2619.21
Gas Chromatography	Aldehydo-D-galacturonate_TMS_29	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	1961.38
Gas Chromatography	Aldehydo-D-galacturonate_TMS_30	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	2387.84
Gas Chromatography	Aldehydo-D-galacturonate_TMS_31	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)[O-]	standard polar	2025-10-23	1863.33

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

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
Hexuronide and Hexuronate Degradation		Escherichia coli Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Actinobacillus succinogenes 130Z Escherichia coli CFT073 Ochrobactrum anthropi Bacillus subtilis Pseudomonas stutzeri Klebsiella pneumoniae Bacillus amyloliquefaciens Roseburia intestinalis L1-82 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Haemophilus influenzae Clostridium perfringens Saccharopolyspora erythraea NRRL 2338 Anaerococcus prevotii DSM 20548 Anaerostipes hadrus Bacillus halodurans C-125 Bacillus timonensis 10403023 Bacteroides caccae Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides ovatus Bacteroides stercoris Bacteroides stercoris ATCC 43183 Bacteroides thetaiotaomicron Bacteroides thetaiotaomicron VPI-5482 Bacteroides vulgatus Bacteroides xylanisolvens XB1A Blautia hansenii DSM 20583 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium saccharolyticum Collinsella aerofaciens Dorea formicigenerans ATCC 27755 Dysgonomonas gadei ATCC BAA-286 Enterococcus faecalis Eubacterium eligens ATCC 27750 Lactobacillus paracasei Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Parabacteroides goldsteinii dnLKV18 Prevotella ruminicola 23 Roseburia hominis A2-183 Spirochaeta thermophila Burkholderia cepacia Pseudomonas fluorescens Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Acidiphilium cryptum Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Aeromonas hydrophila Vibrio vulnificus Bacteroides uniformis Ruminococcus albus Streptococcus agalactiae Streptococcus dysgalactiae Streptococcus equinus Streptococcus equi Streptococcus uberis Enterococcus gallinarum Bacillus licheniformis Priestia megaterium Bacillus pumilus Clostridium butyricum Moorella thermoacetica Lactobacillus delbrueckii Lactobacillus plantarum Lactobacillus sakei Actinomyces viscosus Corynebacterium glutamicum Thermotoga neapolitana Roseobacter denitrificans Caldicellulosiruptor bescii Enterococcus avium Enterococcus casseliflavus Eubacterium eligens Eubacterium ramulus Actinosynnema mirum Caldicellulosiruptor saccharolyticus Enterococcus cecorum Mitsuokella multacida Brachyspira pilosicoli Enterococcus durans Blautia hydrogenotrophica Burkholderia vietnamiensis Holdemania filiformis Sodalis glossinidius Enterobacter cancerogenus Bacillus clausii Bacillus pseudofirmus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Citrobacter youngae Burkholderia ambifaria Prevotella copri Ilyobacter polytropus Marvinbryantia formatexigens Bacteroides massiliensis Escherichia albertii Subdoligranulum variabile Bacteroides nordii Bacteroides plebeius Phocaeicola coprocola Bacteroides intestinalis Bacteroides salanitronis Coprococcus comes Actinomyces oris Bacteroides fluxus Bacteroides oleiciplenus Bacteroides faecis Agrobacterium tumefaciens Alistipes shahii Bacteroides helcogenes Bacteroides xylanisolvens Blautia hansenii Clostridium beijerinckii Dorea formicigenerans Dysgonomonas gadei Enterococcus faecium Klebsiella variicola Lactobacillus rhamnosus Lactococcus lactis Parabacteroides goldsteinii Prevotella ruminicola Granulicatella adiacens Achromobacter xylosoxidans A8 Actinobacillus pleuropneumoniae serovar 5b str. L20 Actinobacillus pleuropneumoniae serovar 3 str. JL03 Actinobacillus pleuropneumoniae serovar 7 str. AP76 Aeromonas hydrophila subsp. hydrophila ATCC 7966 Agrobacterium tumefaciens str. C58 Arcanobacterium haemolyticum DSM 20595 Bacillus megaterium QM B1551 Bacillus licheniformis ATCC 14580 Bacillus clausii KSM-K16 Bacillus amyloliquefaciens FZB42 Bacillus pumilus SAFR-032 Priestia megaterium DSM 319 Bacillus subtilis subsp. spizizenii str. W23 Bacillus amyloliquefaciens DSM 7 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Cronobacter sakazakii ATCC BAA-894 Delftia acidovorans SPH-1 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 Haemophilus influenzae 86-028NP Haemophilus influenzae PittGG Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Lactobacillus plantarum WCFS1 Lactobacillus sakei subsp. sakei 23K Lactobacillus brevis ATCC 367 Lactobacillus casei ATCC 334 Lactococcus lactis subsp. lactis Il1403 Lactococcus lactis subsp. cremoris SK11 Lactococcus lactis subsp. cremoris MG1363 Mesorhizobium loti MAFF303099 Escherichia coli 042 Edwardsiella tarda FL6-60 Pseudomonas fluorescens Pf0-1 Pseudomonas fluorescens SBW25 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Ruminococcus albus 7 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 Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Spirosoma linguale DSM 74 Staphylococcus haemolyticus JCSC1435 Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 Streptococcus agalactiae 2603V/R Streptococcus agalactiae NEM316 Streptococcus uberis 0140J Streptococcus equi subsp. equi 4047 Sulfolobus solfataricus P2 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Yersinia pseudotuberculosis IP 31758 Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides fluxus YIT 12057 Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides nordii CL02T12C05 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides uniformis ATCC 8492 Bacteroides xylanisolvens SD CC 1b Bacteroides sp. 1_1_14 Bacteroides sp. 1_1_30 Bacteroides sp. 2_1_22 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D20 Bacteroides sp. D22 Odoribacter laneus YIT 12061 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Prevotella buccae ATCC 33574 Prevotella salivae DSM 15606 Alistipes indistinctus YIT 12060 Parabacteroides johnsonii DSM 18315 Parabacteroides sp. D13 Bacteroides dorei DSM 17855 Spirosoma linguale Cetobacterium somerae ATCC BAA-474 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Burkholderia cepacia GG4 Aeromonas caviae Aeromonas media Aeromonas veronii Succinatimonas hippei Succinatimonas hippei YIT 12066 Succinivibrio dextrinosolvens Cedecea davisae Cedecea davisae DSM 4568 Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Enterobacter hormaechei Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Serratia marcescens subsp. marcescens Db11 Yersinia enterocolitica Yersinia pestis Yersinia pseudotuberculosis Actinobacillus pleuropneumoniae Grimontia hollisae CIP 101886 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Brachyspira pilosicoli B2904 Acetomicrobium hydrogeniformans Actinomyces naeslundii Actinomyces naeslundii str. Howell 279 Actinomyces urogenitalis DSM 15434 Trueperella pyogenes Corynebacterium durum Corynebacterium durum F0235 Microbacterium oleivorans Cellulosimicrobium cellulans Propionibacterium Olsenella profusa F0195 Collinsella tanakaei YIT 12063 Bacillus altitudinis Bacillus infantis NRRL B-14911 Paenibacillus lactis 154 Granulicatella adiacens ATCC 49175 Enterococcus asini ATCC 700915 Enterococcus casseliflavus ATCC 12755 Enterococcus cecorum DSM 20682 = ATCC 43198 Enterococcus phoeniculicola ATCC BAA-412 Lactobacillus paracasei subsp. paracasei 8700:2 Lactobacillus rhamnosus LMS2-1 Lactobacillus hilgardii DSM 20176 = ATCC 8290 Lactobacillus coleohominis 101-4-CHN Lactobacillus coryniformis subsp. coryniformis CECT 5711 Pediococcus acidilactici DSM 20284 Weissella cibaria Streptococcus equi subsp. zooepidemicus H70 Streptococcus equi subsp. zooepidemicus MGCS10565 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Eubacterium ramulus ATCC 29099 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Coprococcus comes ATCC 27758 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 Lachnospira multipara [Ruminococcus] gnavus ATCC 29149 [Ruminococcus] lactaris ATCC 29176 Roseburia inulinivorans DSM 16841 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Subdoligranulum variabile DSM 15176 [Clostridium] leptum DSM 753 [Bacteroides] pectinophilus ATCC 43243 Holdemania filiformis DSM 12042 Mitsuokella multacida DSM 20544 Megasphaera elsdenii Peptoniphilus indolicus ATCC 29427 Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Corynebacterium glutamicum ATCC 13032 Clostridioides difficile 630 Clostridioides difficile NAP08 Bifidobacterium longum subsp. infantis Lachnoclostridium phytofermentans ISDg Streptococcus pasteurianus ATCC 43144 Streptococcus suis GZ1 Alicyclobacillus acidocaldarius subsp. acidocaldarius DSM 446 Alkaliphilus metalliredigens QYMF Arthrobacter sp. FB24 Arthrobacter aurescens TC1 Arthrobacter chlorophenolicus A6 Beutenbergia cavernae DSM 12333 Butyrivibrio proteoclasticus B316 Caldicellulosiruptor bescii DSM 6725 Clostridium cellulolyticum H10 Conexibacter woesei DSM 14684 Corynebacterium glutamicum R Deinococcus geothermalis DSM 11300 Frankia sp. EuI1c Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Intrasporangium calvum DSM 43043 Jonesia denitrificans DSM 20603 Kineococcus radiotolerans SRS30216 Kribbella flavida DSM 17836 Oceanobacillus iheyensis HTE831 Caldicellulosiruptor saccharolyticus DSM 8903 Dictyoglomus turgidum DSM 6724 Thermobaculum terrenum ATCC BAA-798 Renibacterium salmoninarum ATCC 33209 Rhodococcus jostii RHA1 Saccharomonospora viridis DSM 43017 Sanguibacter keddieii DSM 10542 Staphylococcus carnosus subsp. carnosus TM300 Streptococcus equi subsp. zooepidemicus Streptococcus suis BM407 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Xylanimonas cellulosilytica DSM 15894 Aspergillus phoenicis Aspergillus aculeatus ATCC 16872 Aspergillus niger ATCC 1015 Aspergillus taichungensis Aspergillus tubingensis Penicillium canescens Penicillium chermesinum Penicillium italicum Fusarium acutatum Fusarium fujikuroi IMI 58289 Fusarium proliferatum ET1 Fusarium subglutinans Fusarium heterosporum Fusarium equiseti Fusarium sporotrichioides Fusarium vanettenii Fusarium vanettenii 77-13-4 Paraburkholderia graminis C4D1M Acidipropionibacterium acidipropionici ATCC 4875 Anaerobutyricum hallii DSM 3353 Bacteroides helcogenes P 36-108 Bacteroides salanitronis DSM 18170 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acidiphilium cryptum JF-5 Acidiphilium multivorum AIU301 Acidobacterium capsulatum ATCC 51196 Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Mannheimia succiniciproducens MBEL55E Bordetella petrii DSM 12804 Brachyspira hyodysenteriae WA1 Brachyspira murdochii DSM 12563 Brachyspira pilosicoli 95/1000 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 pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Candidatus Koribacter versatilis Ellin345 Caulobacter crescentus CB15 Caulobacter crescentus NA1000 Caulobacter segnis ATCC 21756 Cellulophaga algicola DSM 14237 Clostridium lentocellum DSM 5427 Cellvibrio japonicus Ueda107 Chitinophaga pinensis DSM 2588 Chromohalobacter salexigens DSM 3043 Citrobacter rodentium ICC168 Cronobacter turicensis z3032 Cupriavidus taiwanensis LMG 19424 Deinococcus deserti VCD115 Dickeya dadantii Ech703 Dickeya zeae Ech1591 Dickeya dadantii Ech586 Dickeya dadantii 3937 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter sp. 638 Enterobacter cloacae SCF1 Erwinia tasmaniensis Et1/99 Erwinia amylovora CFBP1430 Erwinia billingiae Eb661 Gramella forsetii KT0803 Halorhabdus utahensis DSM 12940 Haloterrigena turkmenica DSM 5511 Ilyobacter polytropus DSM 2926 Klebsiella pneumoniae 342 Leadbetterella byssophila DSM 17132 Leifsonia xyli subsp. xyli str. CTCB07 Leptothrix cholodnii SP-6 Maricaulis maris MCS10 Marinomonas posidonica IVIA-Po-181 Methylobacterium nodulans ORS 2060 Microbacterium testaceum StLB037 Nostoc punctiforme PCC 73102 Novosphingobium aromaticivorans DSM 12444 Xanthomonas axonopodis pv. citri str. 306 Sodalis glossinidius str. 'morsitans' Sorangium cellulosum 'So ce 56' Opitutus terrae PB90-1 Alteromonas macleodii str. 'Deep ecotype' Pantoea ananatis LMG 20103 Paracoccus denitrificans PD1222 Pectobacterium atrosepticum SCRI1043 Pectobacterium carotovorum subsp. carotovorum PC1 Pedobacter heparinus DSM 2366 Phenylobacterium zucineum HLK1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Psychromonas ingrahamii 37 Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopirellula baltica SH 1 Rhodothermus marinus DSM 4252 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Saccharophagus degradans 2-40 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingobium japonicum UT26S Sphingomonas wittichii RW1 Sphingopyxis alaskensis RB2256 Spirochaeta thermophila DSM 6192 Streptobacillus moniliformis DSM 12112 Teredinibacter turnerae T7901 Thermotoga petrophila RKU-1 Thermotoga sp. RQ2 Thermotoga neapolitana DSM 4359 Tolumonas auensis DSM 9187 Treponema brennaborense DSM 12168 Variovorax paradoxus EPS Verminephrobacter eiseniae EF01-2 Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Xanthobacter autotrophicus Py2 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Zunongwangia profunda SM-A87 Sphingobacterium paucimobilis HER1398 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
MMDBr0018407	Aldehydo-D-galacturonate	D-Tagaturonate	Uronate isomerase	Isomerization	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
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Proteobacteria	83	Cattle ; Human ; Pig ; Human feces
Bacteria/Eubacteria	Firmicutes	29	Human feces; Human ; Cattle
Bacteria/Eubacteria	Bacteroidetes	5	Human ; Human feces
Bacteria/Eubacteria	Spirochaetes	1	Pig
Bacteria/Eubacteria	Actinobacteria	3	Human ; Human feces
Bacteria	Proteobacteria	3	Cattle ; Human ; Pig ; Human feces
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Cyanobacteria	1
Bacteria/Eubacteria	Verrucomicrobia	1
Bacteria/Eubacteria	Acidobacteria	1
Bacteria/Eubacteria	Thermotogae	4

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

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

1593918

PDB ID

Not Available

ChEBI ID

12952

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

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 Aldehydo-D-galacturonate (MMDBc0000321)

MOL for #<Metabolite:0x00005624ca0c2e08>

3D MOL for #<Metabolite:0x00005624ca0c2e08>

3D SDF for #<Metabolite:0x00005624ca0c2e08>

3D-SDF for #<Metabolite:0x00005624ca0c2e08>

PDB for #<Metabolite:0x00005624ca0c2e08>

3D PDB for #<Metabolite:0x00005624ca0c2e08>

SMILES for #<Metabolite:0x00005624ca0c2e08>

INCHI for #<Metabolite:0x00005624ca0c2e08>

Structure for #<Metabolite:0x00005624ca0c2e08>

3D Structure for #<Metabolite:0x00005624ca0c2e08>