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Showing metabocard for 2,6-Pyridinedicarboxylic acid (HMDB0033161)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:54:06 UTC
Update Date2023-02-21 17:23:10 UTC
HMDB IDHMDB0033161
Secondary Accession Numbers
  • HMDB33161
Metabolite Identification
Common Name2,6-Pyridinedicarboxylic acid
Description2,6-Pyridinedicarboxylic acid, also known as 2,6-dicarboxypyridine or 2,6-dipicolinic acid, belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group. 2,6-Pyridinedicarboxylic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on 2,6-Pyridinedicarboxylic acid.
Structure
Data?1677000190
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0033161 (2,6-Pyridinedicarboxylic acid)


  Mrv0541 02231217342D          

 12 12  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  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
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
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3D MOL for HMDB0033161 (2,6-Pyridinedicarboxylic acid)

HMDB0033161
     RDKit          3D
2,6-Pyridinedicarboxylic acid
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1519    2.2178    0.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244    0.9465    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4249    0.3300    0.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390    0.1738    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974   -1.1960    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -1.9315   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1780   -1.2557   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328    0.1210   -0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811    0.7939   -0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4868    0.1111   -1.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    2.1755   -0.7288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104    0.7980   -0.0831 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219    0.7528    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0229   -1.7439    0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -3.0362   -0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0633   -1.8467   -0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503    2.5895    0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  2  0
 12  4  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
 11 17  1  0
M  END
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3D SDF for HMDB0033161 (2,6-Pyridinedicarboxylic acid)


  Mrv0541 02231217342D          

 12 12  0  0  0  0            999 V2000
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  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
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033161

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=O)C1=CC=CC(=N1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)

> <INCHI_KEY>
WJJMNDUMQPNECX-UHFFFAOYSA-N

> <FORMULA>
C7H5NO4

> <MOLECULAR_WEIGHT>
167.1189

> <EXACT_MASS>
167.021857653

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
14.571938589663489

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pyridine-2,6-dicarboxylic acid

> <ALOGPS_LOGP>
0.54

> <JCHEM_LOGP>
0.8424398563333333

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.991217267638345

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.240665380380044

> <JCHEM_PKA_STRONGEST_BASIC>
-2.4986114606290792

> <JCHEM_POLAR_SURFACE_AREA>
87.49000000000001

> <JCHEM_REFRACTIVITY>
37.6695

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.46e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dipicolinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0033161 (2,6-Pyridinedicarboxylic acid)

HMDB0033161
     RDKit          3D
2,6-Pyridinedicarboxylic acid
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1519    2.2178    0.5963 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2244    0.9465    0.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4249    0.3300    0.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390    0.1738    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974   -1.1960    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162   -1.9315   -0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1780   -1.2557   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328    0.1210   -0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811    0.7939   -0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4868    0.1111   -1.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    2.1755   -0.7288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1104    0.7980   -0.0831 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1219    0.7528    1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0229   -1.7439    0.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -3.0362   -0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0633   -1.8467   -0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503    2.5895    0.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  2  0
 12  4  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
 11 17  1  0
M  END
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PDB for HMDB0033161 (2,6-Pyridinedicarboxylic acid)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       2.667   1.540   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8    4                                                       
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0033161 (2,6-Pyridinedicarboxylic acid)

COMPND    HMDB0033161
HETATM    1  O1  UNL     1       2.152   2.218   0.596  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.224   0.947   0.575  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.425   0.330   0.891  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.039   0.174   0.218  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.097  -1.196   0.189  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.016  -1.931  -0.146  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.178  -1.256  -0.449  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.233   0.121  -0.419  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.481   0.794  -0.746  1.00  0.00           C  
HETATM   10  O3  UNL     1      -3.487   0.111  -1.050  1.00  0.00           O  
HETATM   11  O4  UNL     1      -2.580   2.175  -0.729  1.00  0.00           O  
HETATM   12  N1  UNL     1      -0.110   0.798  -0.083  1.00  0.00           N  
HETATM   13  H1  UNL     1       4.122   0.753   1.490  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.023  -1.744   0.430  1.00  0.00           H  
HETATM   15  H3  UNL     1       0.017  -3.036  -0.173  1.00  0.00           H  
HETATM   16  H4  UNL     1      -2.063  -1.847  -0.716  1.00  0.00           H  
HETATM   17  H5  UNL     1      -2.950   2.589   0.122  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   13
CONECT    4    5    5   12
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9   12   12
CONECT    9   10   10   11
CONECT   11   17
END
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SMILES for HMDB0033161 (2,6-Pyridinedicarboxylic acid)

OC(=O)C1=CC=CC(=N1)C(O)=O
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INCHI for HMDB0033161 (2,6-Pyridinedicarboxylic acid)

InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2,6-DicarboxypyridineChEBI
2,6-Dipicolinic acidChEBI
PYRIDINE-2,6-dicarboxylIC ACIDChEBI
2,6-DipicolinateGenerator
PYRIDINE-2,6-dicarboxylateGenerator
2,6-PyridinedicarboxylateGenerator
2,6-Pyridine dicarboxylateMeSH
3,4-PyridinedicarboxylateMeSH
Dipicolinic acidMeSH
Dipicolinic acid, calcium saltMeSH
Dipicolinic acid, dipotassium saltMeSH
Dipicolinic acid, disodium saltMeSH
Dipicolinic acid, monosodium saltMeSH
Dipicolinic acid, zinc saltMeSH
Zinc dipicolinateMeSH
DipicolinateHMDB, Generator
2,6-Pyridinedicarboxylic acidChEBI
Chemical FormulaC7H5NO4
Average Molecular Weight167.1189
Monoisotopic Molecular Weight167.021857653
IUPAC Namepyridine-2,6-dicarboxylic acid
Traditional Namedipicolinic acid
CAS Registry Number499-83-2
SMILES
OC(=O)C1=CC=CC(=N1)C(O)=O
InChI Identifier
InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChI KeyWJJMNDUMQPNECX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyridinecarboxylic acids. Pyridinecarboxylic acids are compounds containing a pyridine ring bearing a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridinecarboxylic acids and derivatives
Direct ParentPyridinecarboxylic acids
Alternative Parents
Substituents
  • Pyridine carboxylic acid
  • Dicarboxylic acid or derivatives
  • Heteroaromatic compound
  • Azacycle
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point252 °CNot Available
Boiling Point463.70 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility5 mg/mL at 25 °CNot Available
LogP-0.830 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.46 g/LALOGPS
logP0.54ALOGPS
logP0.84ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.24ChemAxon
pKa (Strongest Basic)-2.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area87.49 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity37.67 m³·mol⁻¹ChemAxon
Polarizability14.57 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+137.07531661259
DarkChem[M-H]-132.21831661259
DeepCCS[M+H]+130.72530932474
DeepCCS[M-H]-126.89730932474
DeepCCS[M-2H]-164.4130932474
DeepCCS[M+Na]+139.94930932474
AllCCS[M+H]+134.532859911
AllCCS[M+H-H2O]+130.032859911
AllCCS[M+NH4]+138.732859911
AllCCS[M+Na]+139.932859911
AllCCS[M-H]-128.532859911
AllCCS[M+Na-2H]-129.332859911
AllCCS[M+HCOO]-130.432859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. 2.54 minutes32390414
Predicted by Siyang on May 30, 20229.986 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.6 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid230.3 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1243.5 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid354.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid68.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid207.5 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid112.6 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid287.1 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid257.9 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)320.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid651.7 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid168.4 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid965.1 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid224.8 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid260.8 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate699.2 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA253.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water318.1 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2,6-Pyridinedicarboxylic acidOC(=O)C1=CC=CC(=N1)C(O)=O2390.7Standard polar33892256
2,6-Pyridinedicarboxylic acidOC(=O)C1=CC=CC(=N1)C(O)=O1411.4Standard non polar33892256
2,6-Pyridinedicarboxylic acidOC(=O)C1=CC=CC(=N1)C(O)=O1631.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2,6-Pyridinedicarboxylic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC=CC(C(=O)O)=N11782.4Semi standard non polar33892256
2,6-Pyridinedicarboxylic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C1=CC=CC(C(=O)O[Si](C)(C)C)=N11766.2Semi standard non polar33892256
2,6-Pyridinedicarboxylic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC=CC(C(=O)O)=N12019.6Semi standard non polar33892256
2,6-Pyridinedicarboxylic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1=CC=CC(C(=O)O[Si](C)(C)C(C)(C)C)=N12196.2Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB04267
Phenol Explorer Compound IDNot Available
FooDB IDFDB011167
KNApSAcK IDC00055308
Chemspider ID9940
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkDipicolinic_acid
METLIN IDNot Available
PubChem Compound10367
PDB IDPDC
ChEBI ID46837
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1167241
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .