MiMeDB: Showing metabocard for beta-D-galacturonic acid (MMDBc0055754)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:04:22 UTC

Update Date

2025-10-07 16:09:20 UTC

Metabolite ID

MMDBc0055754

Metabolite Identification

Common Name

beta-D-galacturonic acid

Description

beta-D-galacturonic acid is a pectin-derived monosaccharide that belongs to the class of uronic acids. Its chemical structure features a six-carbon backbone with a carboxylic acid functional group, which plays a crucial role in its reactivity and interactions. In the context of plant biology, beta-D-galacturonic acid is a key component of pectin, a structural polysaccharide found in the primary cell walls of plants, contributing to cell wall integrity and rigidity. It participates in various biochemical pathways, including those involved in plant defense and cell signaling. For instance, molecular modeling and docking studies have been conducted on Meloidogyne graminicola protein targets, such as β-1,4-endoglucanase and pectate lyase, to explore the binding affinity of beta-D-galacturonic acid, highlighting its potential interactions with proteins involved in plant-pathogen interactions (PMID:11595223 ). Additionally, variations in the number and position of beta-D-galacturonic acid substituents can influence the structure of lipopolysaccharides, further underlining its significance in biochemical processes (PMID:11595223 ).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222042D          

 18 18  0  0  1  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  3  1  0  0  0  0
  1  7  1  6  0  0  0
  2  8  1  6  0  0  0
  3  9  1  1  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  1  6  0  0  0
 13  4  1  0  0  0  0
 13  6  1  0  0  0  0
  1 14  1  1  0  0  0
  2 15  1  1  0  0  0
  3 16  1  6  0  0  0
  4 17  1  1  0  0  0
  6 18  1  1  0  0  0
M  CHG  1  11  -1
M  END
> <DATABASE_ID>
MMDBc0055754

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]1(O)O[C@]([H])(C([O-])=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2+,3+,4-,6+/m0/s1

> <INCHI_KEY>
AEMOLEFTQBMNLQ-DTEWXJGMSA-M

> <FORMULA>
C6H9O7

> <MOLECULAR_WEIGHT>
193.132

> <EXACT_MASS>
193.03537621

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.920529105309928

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

> <JCHEM_LOGP>
-2.61226468

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.309229286068723

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2077910586517073

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6863365702254773

> <JCHEM_POLAR_SURFACE_AREA>
130.28

> <JCHEM_REFRACTIVITY>
46.6279

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O-1
HETATM   12  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   14  H   UNK     0       2.667   3.080   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       0.000   3.080   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       2.667  -1.540   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0      -0.000  -1.540   0.000  0.00  0.00           H+0
CONECT    1    2    3    7   14                                             
CONECT    2    1    4    8   15                                             
CONECT    3    1    6    9   16                                             
CONECT    4    2    5   13   17                                             
CONECT    5    4   10   11                                                  
CONECT    6    3   12   13   18                                             
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    5                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    4    6                                                       
CONECT   14    1                                                            
CONECT   15    2                                                            
CONECT   16    3                                                            
CONECT   17    4                                                            
CONECT   18    6                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END

Synonyms

Value	Source
b-D-Galacturonate	Generator
b-D-Galacturonic acid	Generator
beta-D-Galacturonic acid	Generator
Β-D-galacturonate	Generator
Β-D-galacturonic acid	Generator

Molecular Formula

C₆H₉O₇

Average Mass

193.132

Monoisotopic Mass

193.03537621

IUPAC Name

(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

Traditional Name

(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@@]1(O)O[C@]([H])(C([O-])=O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O

InChI Identifier

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/p-1/t1-,2+,3+,4-,6+/m0/s1

InChI Key

AEMOLEFTQBMNLQ-DTEWXJGMSA-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
Beta-hydroxy acid
Hydroxy acid
Monosaccharide
Pyran
Oxane
Hemiacetal
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Organic anion
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-galactopyranuronate (CHEBI:85312 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-2.6	ChemAxon
pKa (Strongest Acidic)	3.21	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	130.28 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	46.63 m³·mol⁻¹	ChemAxon
Polarizability	15.92 Å³	ChemAxon
Number of Rings	1	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	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-22	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)	2025-10-24	449.8
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	224.1
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	44.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	232.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	287.5
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	345.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	787.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	705.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	944.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	179.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	318.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	194.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	36.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	353.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	611.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	83.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	262.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	883.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	625.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	beta-D-galacturonic acid_TMS_1	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1789.84
Gas Chromatography	beta-D-galacturonic acid_TMS_2	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1600.94
Gas Chromatography	beta-D-galacturonic acid_TMS_3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)[O-])O[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2018.77
Gas Chromatography	beta-D-galacturonic acid_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C(=O)[O-])O[C@H]1O	standard non polar	2025-10-24	1796.57
Gas Chromatography	beta-D-galacturonic acid_TMS_5	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard non polar	2025-10-24	1488.86
Gas Chromatography	beta-D-galacturonic acid_TMS_6	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1632.17
Gas Chromatography	beta-D-galacturonic acid_TMS_7	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2061.49
Gas Chromatography	beta-D-galacturonic acid_TMS_8	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	1809.65
Gas Chromatography	beta-D-galacturonic acid_TMS_9	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1167.54
Gas Chromatography	beta-D-galacturonic acid_TMS_10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)[O-])O[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2193.42
Gas Chromatography	beta-D-galacturonic acid_TMS_11	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard non polar	2025-10-24	931.307
Gas Chromatography	beta-D-galacturonic acid_TMS_12	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2172.7
Gas Chromatography	beta-D-galacturonic acid_TMS_13	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1835.99
Gas Chromatography	beta-D-galacturonic acid_TMS_14	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2109.7
Gas Chromatography	beta-D-galacturonic acid_TMS_15	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2017.78
Gas Chromatography	beta-D-galacturonic acid_TMS_1	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2104.1
Gas Chromatography	beta-D-galacturonic acid_TMS_2	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O	standard polar	2025-10-24	2167.53
Gas Chromatography	beta-D-galacturonic acid_TMS_3	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)[O-])O[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1836.23
Gas Chromatography	beta-D-galacturonic acid_TMS_4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C(=O)[O-])O[C@H]1O	standard polar	2025-10-24	1578.44
Gas Chromatography	beta-D-galacturonic acid_TMS_5	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	standard polar	2025-10-24	2583.69
Gas Chromatography	beta-D-galacturonic acid_TMS_6	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	1963.7
Gas Chromatography	beta-D-galacturonic acid_TMS_7	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2174.86
Gas Chromatography	beta-D-galacturonic acid_TMS_8	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2032.0
Gas Chromatography	beta-D-galacturonic acid_TMS_9	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2174.01
Gas Chromatography	beta-D-galacturonic acid_TMS_10	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](C(=O)[O-])O[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2269.68
Gas Chromatography	beta-D-galacturonic acid_TMS_11	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	standard polar	2025-10-24	2509.59
Gas Chromatography	beta-D-galacturonic acid_TMS_12	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2336.77
Gas Chromatography	beta-D-galacturonic acid_TMS_13	C[Si](C)(C)O[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2326.79
Gas Chromatography	beta-D-galacturonic acid_TMS_14	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2236.43
Gas Chromatography	beta-D-galacturonic acid_TMS_15	C[Si](C)(C)O[C@H]1[C@@H](C(=O)[O-])O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	2227.97

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

Not Available

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

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/Eubacteria	Proteobacteria	3

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

5360184

KEGG Compound ID

Not Available

BioCyc ID

CPD-12524

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6992022

PDB ID

Not Available

ChEBI ID

85312

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

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 beta-D-galacturonic acid (MMDBc0055754)

MOL for #<Metabolite:0x00007f9aa77d8c48>

3D MOL for #<Metabolite:0x00007f9aa77d8c48>

3D SDF for #<Metabolite:0x00007f9aa77d8c48>

3D-SDF for #<Metabolite:0x00007f9aa77d8c48>

PDB for #<Metabolite:0x00007f9aa77d8c48>

3D PDB for #<Metabolite:0x00007f9aa77d8c48>

SMILES for #<Metabolite:0x00007f9aa77d8c48>

INCHI for #<Metabolite:0x00007f9aa77d8c48>

Structure for #<Metabolite:0x00007f9aa77d8c48>

3D Structure for #<Metabolite:0x00007f9aa77d8c48>