MiMeDB: Showing metabocard for N'-Formylkynurenine (MMDBc0032949)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:28:32 UTC

Update Date

2022-08-31 21:48:56 UTC

MiMeDB ID

MMDBc0032949

Metabolite Identification

Common Name

N'-Formylkynurenine

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₁H₁₂N₂O₄

Average Molecular Weight

236.224

Monoisotopic Molecular Weight

236.079706882

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

1022-31-7

SMILES

Not Available

InChI Identifier

InChI=1S/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)

InChI Key

BYHJHXPTQMMKCA-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x000055b76926f720>

Human Pathways

Pathways

Name	SMPDB/PathBank
Anti-inflammatory pathway
Viral Sepsis

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	1	Human Feces	Unknown
	Proteobacteria	30	Human Feces; Human	Metabolic reconstruction
	Firmicutes	32	Human ; Human Feces	Metabolic reconstruction
	Actinobacteria	6	Human Feces	Metabolic reconstruction
	Bacteroidetes	3	Human Feces	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

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		details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Wong PW, Forman P, Tabahoff B, Justice P: A defect in tryptophan metabolism. Pediatr Res. 1976 Aug;10(8):725-30. doi: 10.1203/00006450-197608000-00005. [PubMed:133325 ]
Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Showing metabocard for N'-Formylkynurenine (MMDBc0032949)

MOL for #<Metabolite:0x000055b76e08f4a0>

3D MOL for #<Metabolite:0x000055b76e08f4a0>

3D SDF for #<Metabolite:0x000055b76e08f4a0>

3D-SDF for #<Metabolite:0x000055b76e08f4a0>

PDB for #<Metabolite:0x000055b76e08f4a0>

3D PDB for #<Metabolite:0x000055b76e08f4a0>

SMILES for #<Metabolite:0x000055b76e08f4a0>

INCHI for #<Metabolite:0x000055b76e08f4a0>

Structure for #<Metabolite:0x000055b76e08f4a0>

3D Structure for #<Metabolite:0x000055b76e08f4a0>