MiMeDB: Showing metabocard for D-galacto-hexodialdose (MMDBc0055862)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:09:05 UTC

Update Date

2025-10-07 16:09:25 UTC

Metabolite ID

MMDBc0055862

Metabolite Identification

Common Name

D-galacto-hexodialdose

Description

D-galacto-hexodialdose is a carbohydrate belonging to the class of hexose sugars, specifically a dialdose. Its chemical structure features a six-carbon backbone with aldehyde groups at both ends, making it a crucial intermediate in various metabolic pathways. This compound plays a role in carbohydrate metabolism, particularly in the oxidation processes involving galactose. For instance, affinity chromatography studies have utilized D-galacto-hexodialdose derivatives to isolate myo-inositol oxygenase from rat kidney, highlighting its interaction with enzymes in metabolic pathways (PMID:6707116 ). Additionally, D-galacto-hexodialdose can be modified through chemical reactions, such as partial acid hydrolysis followed by treatment with galactose oxidase, resulting in an insoluble matrix containing 3-O-substituted D-galacto-hexodialdose (PMID:6707116 ). These processes underscore its significance in biochemical research and its potential applications in understanding carbohydrate metabolism and enzyme interactions.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222092D          

 16 15  0  0  0  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  2  0  0  0  0
  8  2  2  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  6  0  0  0
  6 12  1  1  0  0  0
  3 13  1  6  0  0  0
  4 14  1  1  0  0  0
  5 15  1  6  0  0  0
  6 16  1  1  0  0  0
M  END
> <DATABASE_ID>
MMDBc0055862

> <DATABASE_NAME>
MIME

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1-6,9-12H/t3-,4+,5+,6-

> <INCHI_KEY>
VYPPEYAOCURAAE-GUCUJZIJSA-N

> <FORMULA>
C6H10O6

> <MOLECULAR_WEIGHT>
178.14

> <EXACT_MASS>
178.047738042

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.288336435815276

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedial

> <JCHEM_LOGP>
-3.406702277333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.718273788576305

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.069527672204766

> <JCHEM_PKA_STRONGEST_BASIC>
-3.687422298475602

> <JCHEM_POLAR_SURFACE_AREA>
115.06000000000002

> <JCHEM_REFRACTIVITY>
36.2876

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
D-galacto-hexodialdose

> <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       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.645   1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.311   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.357   1.334   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       8.978   2.104   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       2.310  -0.206   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       6.311   3.644   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.644   3.644   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
HETATM   13  H   UNK     0       2.310   2.874   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0       6.311   0.564   0.000  0.00  0.00           H+0
HETATM   15  H   UNK     0       3.644   0.564   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       4.977   2.874   0.000  0.00  0.00           H+0
CONECT    1    3    7                                                       
CONECT    2    4    8                                                       
CONECT    3    1    5    9   13                                             
CONECT    4    2    6   10   14                                             
CONECT    5    3    6   11   15                                             
CONECT    6    4    5   12   16                                             
CONECT    7    1                                                            
CONECT    8    2                                                            
CONECT    9    3                                                            
CONECT   10    4                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    3                                                            
CONECT   14    4                                                            
CONECT   15    5                                                            
CONECT   16    6                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   30    0
END

Synonyms

Not Available

Molecular Formula

C₆H₁₀O₆

Average Mass

178.14

Monoisotopic Mass

178.047738042

IUPAC Name

(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedial

Traditional Name

D-galacto-hexodialdose

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1-6,9-12H/t3-,4+,5+,6-

InChI Key

VYPPEYAOCURAAE-GUCUJZIJSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Medium-chain aldehydes

Alternative Parents

Substituents

Medium-chain aldehyde
Monosaccharide
Beta-hydroxy aldehyde
Alpha-hydroxyaldehyde
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dialdose (CHEBI:16222 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-3.4	ChemAxon
pKa (Strongest Acidic)	12.07	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	115.06 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	36.29 m³·mol⁻¹	ChemAxon
Polarizability	15.29 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 GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_5) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-09	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

Not Available

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	D-galacto-hexodialdose_TMS_1	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C=O	standard non polar	2025-10-24	2059.1
Gas Chromatography	D-galacto-hexodialdose_TMS_2	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C=O)[C@@H](O)C=O	standard non polar	2025-10-24	1763.38
Gas Chromatography	D-galacto-hexodialdose_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-24	1880.81
Gas Chromatography	D-galacto-hexodialdose_TMS_4	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-24	1886.4
Gas Chromatography	D-galacto-hexodialdose_TMS_5	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@H](O)C=O	standard non polar	2025-10-24	1630.32
Gas Chromatography	D-galacto-hexodialdose_TMS_6	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-24	2137.73
Gas Chromatography	D-galacto-hexodialdose_TMS_7	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C=O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	2111.21
Gas Chromatography	D-galacto-hexodialdose_TMS_8	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C=O	standard non polar	2025-10-24	2001.28
Gas Chromatography	D-galacto-hexodialdose_TMS_9	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	2317.78
Gas Chromatography	D-galacto-hexodialdose_TMS_10	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)C=O	standard non polar	2025-10-24	2093.71
Gas Chromatography	D-galacto-hexodialdose_TMS_11	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	2103.57
Gas Chromatography	D-galacto-hexodialdose_TMS_12	C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard non polar	2025-10-24	2047.49
Gas Chromatography	D-galacto-hexodialdose_TMS_13	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard non polar	2025-10-24	1771.71
Gas Chromatography	D-galacto-hexodialdose_TMS_14	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard non polar	2025-10-24	2225.01
Gas Chromatography	D-galacto-hexodialdose_TMS_15	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C=O	standard non polar	2025-10-24	2299.44
Gas Chromatography	D-galacto-hexodialdose_TMS_16	C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-24	1486.36
Gas Chromatography	D-galacto-hexodialdose_TMS_17	C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-24	2061.43
Gas Chromatography	D-galacto-hexodialdose_TMS_18	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C=O	standard non polar	2025-10-24	1433.29
Gas Chromatography	D-galacto-hexodialdose_TMS_19	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C=O	standard non polar	2025-10-24	1767.03
Gas Chromatography	D-galacto-hexodialdose_TMS_20	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	2470.21
Gas Chromatography	D-galacto-hexodialdose_TMS_21	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)C(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	2014.77
Gas Chromatography	D-galacto-hexodialdose_TMS_22	C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	2152.07
Gas Chromatography	D-galacto-hexodialdose_TMS_23	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	2720.91
Gas Chromatography	D-galacto-hexodialdose_TMS_24	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	2152.23
Gas Chromatography	D-galacto-hexodialdose_TMS_25	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	standard non polar	2025-10-24	1986.29
Gas Chromatography	D-galacto-hexodialdose_TMS_26	C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1962.56
Gas Chromatography	D-galacto-hexodialdose_TMS_27	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	standard non polar	2025-10-24	2285.94
Gas Chromatography	D-galacto-hexodialdose_TMS_28	C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1590.88
Gas Chromatography	D-galacto-hexodialdose_TMS_29	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1917.84
Gas Chromatography	D-galacto-hexodialdose_TMS_30	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1558.0
Gas Chromatography	D-galacto-hexodialdose_TMS_31	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	1840.96
Gas Chromatography	D-galacto-hexodialdose_TMS_32	C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard non polar	2025-10-24	2471.47
Gas Chromatography	D-galacto-hexodialdose_TMS_33	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	standard non polar	2025-10-24	2256.57
Gas Chromatography	D-galacto-hexodialdose_TMS_34	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	standard non polar	2025-10-24	1808.7
Gas Chromatography	D-galacto-hexodialdose_TMS_35	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	standard non polar	2025-10-24	2195.4
Gas Chromatography	D-galacto-hexodialdose_TMS_36	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1874.56
Gas Chromatography	D-galacto-hexodialdose_TMS_37	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	2499.65
Gas Chromatography	D-galacto-hexodialdose_TMS_38	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	standard non polar	2025-10-24	2219.67
Gas Chromatography	D-galacto-hexodialdose_TMS_39	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1573.74
Gas Chromatography	D-galacto-hexodialdose_TMS_40	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	1772.34
Gas Chromatography	D-galacto-hexodialdose_TMS_41	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2010.52
Gas Chromatography	D-galacto-hexodialdose_TMS_42	C[Si](C)(C)O[C@H](C=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	2025-10-24	2131.61
Gas Chromatography	D-galacto-hexodialdose_TMS_43	C[Si](C)(C)OC=C(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	2025-10-24	2061.91
Gas Chromatography	D-galacto-hexodialdose_TMS_44	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	standard non polar	2025-10-24	1631.93
Gas Chromatography	D-galacto-hexodialdose_TMS_45	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1605.0
Gas Chromatography	D-galacto-hexodialdose_TMS_46	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1829.43
Gas Chromatography	D-galacto-hexodialdose_TMS_47	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	2184.6
Gas Chromatography	D-galacto-hexodialdose_TMS_48	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1935.59
Gas Chromatography	D-galacto-hexodialdose_TMS_49	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1481.89
Gas Chromatography	D-galacto-hexodialdose_TMS_50	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	2182.82
Gas Chromatography	D-galacto-hexodialdose_TMS_51	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2711.27
Gas Chromatography	D-galacto-hexodialdose_TMS_52	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	standard non polar	2025-10-24	1381.88
Gas Chromatography	D-galacto-hexodialdose_TMS_53	C[Si](C)(C)OC=C(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	2025-10-24	1630.63
Gas Chromatography	D-galacto-hexodialdose_TMS_54	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	1849.56
Gas Chromatography	D-galacto-hexodialdose_TMS_55	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1640.69
Gas Chromatography	D-galacto-hexodialdose_TMS_56	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1835.26
Gas Chromatography	D-galacto-hexodialdose_TMS_57	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](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1886.08
Gas Chromatography	D-galacto-hexodialdose_TMS_58	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](C=O)O[Si](C)(C)C	standard non polar	2025-10-24	1865.29
Gas Chromatography	D-galacto-hexodialdose_TMS_59	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(O)=CO[Si](C)(C)C	standard non polar	2025-10-24	1387.26
Gas Chromatography	D-galacto-hexodialdose_TMS_60	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1318.36
Gas Chromatography	D-galacto-hexodialdose_TMS_61	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1964.36
Gas Chromatography	D-galacto-hexodialdose_TMS_62	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	212.405
Gas Chromatography	D-galacto-hexodialdose_TMS_63	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(=CO[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2792.92
Gas Chromatography	D-galacto-hexodialdose_TMS_1	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C=O	standard polar	2025-10-24	1554.21
Gas Chromatography	D-galacto-hexodialdose_TMS_2	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C=O)[C@@H](O)C=O	standard polar	2025-10-24	2140.44
Gas Chromatography	D-galacto-hexodialdose_TMS_3	C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-24	2026.9
Gas Chromatography	D-galacto-hexodialdose_TMS_4	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-24	2130.85
Gas Chromatography	D-galacto-hexodialdose_TMS_5	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@H](O)C=O	standard polar	2025-10-24	1541.1
Gas Chromatography	D-galacto-hexodialdose_TMS_6	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-24	2290.87
Gas Chromatography	D-galacto-hexodialdose_TMS_7	C[Si](C)(C)O[C@@H]([C@@H](O)[C@H](O)C=O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2287.88
Gas Chromatography	D-galacto-hexodialdose_TMS_8	C[Si](C)(C)O[C@@H](C=O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C=O	standard polar	2025-10-24	1717.57
Gas Chromatography	D-galacto-hexodialdose_TMS_9	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2006.82
Gas Chromatography	D-galacto-hexodialdose_TMS_10	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)C=O	standard polar	2025-10-24	2615.32
Gas Chromatography	D-galacto-hexodialdose_TMS_11	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2053.64
Gas Chromatography	D-galacto-hexodialdose_TMS_12	C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard polar	2025-10-24	2348.5
Gas Chromatography	D-galacto-hexodialdose_TMS_13	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard polar	2025-10-24	2630.43
Gas Chromatography	D-galacto-hexodialdose_TMS_14	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard polar	2025-10-24	1875.07
Gas Chromatography	D-galacto-hexodialdose_TMS_15	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)C=O	standard polar	2025-10-24	2211.41
Gas Chromatography	D-galacto-hexodialdose_TMS_16	C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-24	1736.16
Gas Chromatography	D-galacto-hexodialdose_TMS_17	C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-24	1936.25
Gas Chromatography	D-galacto-hexodialdose_TMS_18	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)C=O	standard polar	2025-10-24	2434.12
Gas Chromatography	D-galacto-hexodialdose_TMS_19	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O)C=O	standard polar	2025-10-24	2250.39
Gas Chromatography	D-galacto-hexodialdose_TMS_20	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2192.42
Gas Chromatography	D-galacto-hexodialdose_TMS_21	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)C(O)=CO[Si](C)(C)C	standard polar	2025-10-24	2455.7
Gas Chromatography	D-galacto-hexodialdose_TMS_22	C[Si](C)(C)O[C@@H]([C@H](O)C=O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2668.8
Gas Chromatography	D-galacto-hexodialdose_TMS_23	C[Si](C)(C)O[C@H](C=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	3052.67
Gas Chromatography	D-galacto-hexodialdose_TMS_24	C[Si](C)(C)OC=C(O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2135.7
Gas Chromatography	D-galacto-hexodialdose_TMS_25	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	standard polar	2025-10-24	1896.39
Gas Chromatography	D-galacto-hexodialdose_TMS_26	C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	1570.53
Gas Chromatography	D-galacto-hexodialdose_TMS_27	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	standard polar	2025-10-24	1741.93
Gas Chromatography	D-galacto-hexodialdose_TMS_28	C[Si](C)(C)OC=C(O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	1812.6
Gas Chromatography	D-galacto-hexodialdose_TMS_29	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2013.41
Gas Chromatography	D-galacto-hexodialdose_TMS_30	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	1932.59
Gas Chromatography	D-galacto-hexodialdose_TMS_31	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(O)=CO[Si](C)(C)C	standard polar	2025-10-24	2173.89
Gas Chromatography	D-galacto-hexodialdose_TMS_32	C[Si](C)(C)O[C@H](C=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C=O	standard polar	2025-10-24	2514.44
Gas Chromatography	D-galacto-hexodialdose_TMS_33	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	standard polar	2025-10-24	2104.94
Gas Chromatography	D-galacto-hexodialdose_TMS_34	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	standard polar	2025-10-24	2377.27
Gas Chromatography	D-galacto-hexodialdose_TMS_35	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	standard polar	2025-10-24	2459.76
Gas Chromatography	D-galacto-hexodialdose_TMS_36	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	1866.34
Gas Chromatography	D-galacto-hexodialdose_TMS_37	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=CO[Si](C)(C)C	standard polar	2025-10-24	2393.29
Gas Chromatography	D-galacto-hexodialdose_TMS_38	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	standard polar	2025-10-24	2337.55
Gas Chromatography	D-galacto-hexodialdose_TMS_39	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2020.63
Gas Chromatography	D-galacto-hexodialdose_TMS_40	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=CO[Si](C)(C)C	standard polar	2025-10-24	2375.65
Gas Chromatography	D-galacto-hexodialdose_TMS_41	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1974.17
Gas Chromatography	D-galacto-hexodialdose_TMS_42	C[Si](C)(C)O[C@H](C=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	2025-10-24	1309.81
Gas Chromatography	D-galacto-hexodialdose_TMS_43	C[Si](C)(C)OC=C(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	2025-10-24	1354.55
Gas Chromatography	D-galacto-hexodialdose_TMS_44	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	standard polar	2025-10-24	960.623
Gas Chromatography	D-galacto-hexodialdose_TMS_45	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2535.19
Gas Chromatography	D-galacto-hexodialdose_TMS_46	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	1845.42
Gas Chromatography	D-galacto-hexodialdose_TMS_47	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(O)=CO[Si](C)(C)C	standard polar	2025-10-24	1977.89
Gas Chromatography	D-galacto-hexodialdose_TMS_48	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2847.71
Gas Chromatography	D-galacto-hexodialdose_TMS_49	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2079.64
Gas Chromatography	D-galacto-hexodialdose_TMS_50	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(O)=CO[Si](C)(C)C	standard polar	2025-10-24	2132.73
Gas Chromatography	D-galacto-hexodialdose_TMS_51	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1630.92
Gas Chromatography	D-galacto-hexodialdose_TMS_52	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	standard polar	2025-10-24	2695.01
Gas Chromatography	D-galacto-hexodialdose_TMS_53	C[Si](C)(C)OC=C(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	2025-10-24	2181.72
Gas Chromatography	D-galacto-hexodialdose_TMS_54	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O)=CO[Si](C)(C)C	standard polar	2025-10-24	1764.65
Gas Chromatography	D-galacto-hexodialdose_TMS_55	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2201.5
Gas Chromatography	D-galacto-hexodialdose_TMS_56	C[Si](C)(C)OC=C(O)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2234.03
Gas Chromatography	D-galacto-hexodialdose_TMS_57	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](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2585.4
Gas Chromatography	D-galacto-hexodialdose_TMS_58	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](C=O)O[Si](C)(C)C	standard polar	2025-10-24	2301.8
Gas Chromatography	D-galacto-hexodialdose_TMS_59	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(O)=CO[Si](C)(C)C	standard polar	2025-10-24	2297.42
Gas Chromatography	D-galacto-hexodialdose_TMS_60	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1671.67
Gas Chromatography	D-galacto-hexodialdose_TMS_61	C[Si](C)(C)OC=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1907.83
Gas Chromatography	D-galacto-hexodialdose_TMS_62	C[Si](C)(C)OC=C(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2464.33
Gas Chromatography	D-galacto-hexodialdose_TMS_63	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(=CO[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1514.27

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
Eukaryota/Fungi	Ascomycota	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

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

16788275

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14159383

PDB ID

Not Available

ChEBI ID

16222

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 D-galacto-hexodialdose (MMDBc0055862)

MOL for #<Metabolite:0x00007fae02384908>

3D MOL for #<Metabolite:0x00007fae02384908>

3D SDF for #<Metabolite:0x00007fae02384908>

3D-SDF for #<Metabolite:0x00007fae02384908>

PDB for #<Metabolite:0x00007fae02384908>

3D PDB for #<Metabolite:0x00007fae02384908>

SMILES for #<Metabolite:0x00007fae02384908>

INCHI for #<Metabolite:0x00007fae02384908>

Structure for #<Metabolite:0x00007fae02384908>

3D Structure for #<Metabolite:0x00007fae02384908>