MiMeDB: Showing metabocard for 3-Succinoylpyridine (MMDBc0049594)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-04-29 22:37:33 UTC

Update Date

2022-08-13 18:26:46 UTC

Metabolite ID

MMDBc0049594

Metabolite Identification

Common Name

3-Succinoylpyridine

Description

3-Succinoylpyridine, also known as 4-OPC4a, belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. 3-Succinoylpyridine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 3-succinoylpyridine a potential biomarker for the consumption of these foods. 3-Succinoylpyridine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on 3-Succinoylpyridine.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-oxo-4-(3-Pyridyl)-butanoic acid	ChEBI
4-oxo-4-(3-Pyridyl)-butyric acid	ChEBI
4-oxo-4-(Pyridin-3-yl)butyric acid	ChEBI
gamma-oxo-3-Pyridinebutanoic acid	ChEBI
gamma-oxo-3-Pyridinebutyric acid	ChEBI
4-oxo-4-(Pyridin-3-yl)butanoate	Kegg
4-oxo-4-(3-Pyridyl)-butanoate	Generator
4-oxo-4-(3-Pyridyl)-butyrate	Generator
4-oxo-4-(Pyridin-3-yl)butyrate	Generator
g-oxo-3-Pyridinebutanoate	Generator
g-oxo-3-Pyridinebutanoic acid	Generator
gamma-oxo-3-Pyridinebutanoate	Generator
Γ-oxo-3-pyridinebutanoate	Generator
Γ-oxo-3-pyridinebutanoic acid	Generator
g-oxo-3-Pyridinebutyrate	Generator
g-oxo-3-Pyridinebutyric acid	Generator
gamma-oxo-3-Pyridinebutyrate	Generator
Γ-oxo-3-pyridinebutyrate	Generator
Γ-oxo-3-pyridinebutyric acid	Generator
4-oxo-4-(Pyridin-3-yl)butanoic acid	Generator
4-OPC4a	HMDB
4-oxo-4-(3-Pyridyl)butanoic acid	HMDB
4-oxo-4-(3-Pyridyl)butyric acid	HMDB
3-Succinoylpyridine	ChEBI

Molecular Formula

C₉H₉NO₃

Average Mass

179.1727

Monoisotopic Mass

179.058243159

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

4192-31-8

SMILES

Not Available

InChI Identifier

InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)

InChI Key

JGSUNMCABQUBOY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Keto acids and derivatives

Sub Class

Gamma-keto acids and derivatives

Direct Parent

Gamma-keto acids and derivatives

Alternative Parents

Substituents

Gamma-keto acid
Aryl ketone
Aryl alkyl ketone
Pyridine
Heteroaromatic compound
Ketone
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:66951 )
pyridines (CHEBI:66951 )
aromatic ketone (CHEBI:66951 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Nicotine degradation, pyrrolidine pathway		Mycobacterium marinum M Bacillus cereus Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Bacillus cereus AH187 (F4810/72) Alkalihalobacillus pseudofirmus OF4 Brevibacillus brevis NBRC 100599 Eggerthella lenta DSM 2243 Methylobacterium nodulans Comamonas testosteroni Pseudomonas putida Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Rhodopseudomonas palustris Bacillus mycoides Bacillus thuringiensis Bacillus pseudofirmus Achromobacter xylosoxidans Burkholderia multivorans Burkholderia cenocepacia Syntrophobacter fumaroxidans Burkholderia ambifaria Anaerotruncus colihominis Coprococcus comes Achromobacter xylosoxidans A8 Bacillus cereus ATCC 10987 Bacillus cereus AH820 Bacillus cereus G9842 Bacillus cereus Q1 Bradyrhizobium japonicum USDA 110 Delftia acidovorans SPH-1 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Pseudomonas putida KT2440 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Spirosoma linguale DSM 74 Spirosoma linguale Bradyrhizobium elkanii Rhizobium etli Alcaligenes faecalis Burkholderia cepacia GG4 Tatumella ptyseos ATCC 33301 Serratia marcescens subsp. marcescens Db11 Streptomyces avermitilis Bacillus firmus DS1 Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Enterococcus casseliflavus ATCC 12755 Coprococcus comes ATCC 27758 [Clostridium] symbiosum WAL-14163 Anaerotruncus colihominis DSM 17241 Streptomyces coelicolor A3(2) Bordetella pertussis Tohama I Bordetella parapertussis 12822 Ralstonia eutropha H16 Alkaliphilus metalliredigens QYMF Arthrobacter sp. FB24 Catenulispora acidiphila DSM 44928 Conexibacter woesei DSM 14684 Gordonia bronchialis DSM 43247 Mycobacterium vanbaalenii PYR-1 Mycobacterium abscessus ATCC 19977 Pseudonocardia dioxanivorans CB1190 Renibacterium salmoninarum ATCC 33209 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Stackebrandtia nassauensis DSM 44728 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Penicillium concentricum Fusarium equiseti Fusarium vanettenii Fusarium vanettenii 77-13-4 Acidovorax citrulli AAC00-1 Agrobacterium radiobacter K84 Anabaena variabilis ATCC 29413 Bordetella avium 197N Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia cenocepacia MC0-3 Burkholderia phymatum STM815 Burkholderia cenocepacia J2315 Cellulophaga algicola DSM 14237 Chloroflexus aurantiacus J-10-fl Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Desulfitobacterium hafniense Y51 Dickeya dadantii Ech703 Geobacter uraniireducens Rf4 Geobacter sp. FRC-32 Haliangium ochraceum DSM 14365 Legionella longbeachae NSW150 Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Nostoc sp. PCC 7120 Bordetella bronchiseptica RB50 Sorangium cellulosum 'So ce 56' Rhodobacter capsulatus SB1003 Paracoccus denitrificans PD1222 Pseudomonas syringae pv. tomato str. DC3000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingomonas wittichii RW1 Syntrophobacter fumaroxidans MPOB

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

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

HMDB0000992

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022355

KNApSAcK ID

Not Available

Chemspider ID

424

KEGG Compound ID

C19569

BioCyc ID

CPD-14094

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

5924

PubChem Compound

437

PDB ID

Not Available

ChEBI ID

66951

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Felicia ND, Rekha GK, Murphy SE: Characterization of cytochrome P450 2A4 and 2A5-catalyzed 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) metabolism. Arch Biochem Biophys. 2000 Dec 15;384(2):418-24. doi: 10.1006/abbi.2000.2128. [PubMed:11368333 ]
Baidoo EE, Clench MR, Smith RF, Tetler LW: Determination of nicotine and its metabolites in urine by solid-phase extraction and sample stacking capillary electrophoresis-mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Nov 5;796(2):303-13. doi: 10.1016/j.jchromb.2003.08.016. [PubMed:14581070 ]

Showing metabocard for 3-Succinoylpyridine (MMDBc0049594)

MOL for #<Metabolite:0x00007f2e258cb748>

3D MOL for #<Metabolite:0x00007f2e258cb748>

3D SDF for #<Metabolite:0x00007f2e258cb748>

3D-SDF for #<Metabolite:0x00007f2e258cb748>

PDB for #<Metabolite:0x00007f2e258cb748>

3D PDB for #<Metabolite:0x00007f2e258cb748>

SMILES for #<Metabolite:0x00007f2e258cb748>

INCHI for #<Metabolite:0x00007f2e258cb748>

Structure for #<Metabolite:0x00007f2e258cb748>

3D Structure for #<Metabolite:0x00007f2e258cb748>