MiMeDB: Showing metabocard for (S)-8-amino-7-oxononanoic acid (MMDBc0054107)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-05 22:53:11 UTC

Update Date

2024-10-13 07:55:23 UTC

Metabolite ID

MMDBc0054107

Metabolite Identification

Common Name

(S)-8-amino-7-oxononanoic acid

Description

8-Amino-7-oxononanoic acid, also known as 7-keto-8-aminopelargonic acid (7-KAP) or KAPA, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 8-Amino-7-oxononanoic acid has been identified in urine (PMID: 22409530 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
8-Amino-7-oxononanoate	Generator
7-Keto-8-aminopelargonate	HMDB
KAPA CPD	HMDB
7-Keto-8-aminopelargonic acid	HMDB
(8S)-8-Amino-7-oxononanoate	HMDB
(8S)-8-Amino-7-oxononanoic acid	HMDB
7-KAP	HMDB
7-oxo-8-Aminopelargonic acid	HMDB
8-Amino-7-ketopelargonic acid	HMDB
KAPA	HMDB
8-Amino-7-oxononanoic acid	MeSH

Molecular Formula

C₉H₁₇NO₃

Average Mass

187.2362

Monoisotopic Mass

187.120843415

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)/t7-/m0/s1

InChI Key

GUAHPAJOXVYFON-ZETCQYMHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents

Medium-chain fatty acid
Amino fatty acid
Branched fatty acid
Methyl-branched fatty acid
Alpha-aminoketone
Amino acid
Amino acid or derivatives
Ketone
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Organic nitrogen compound
Carbonyl group
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

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
Acylcarnitine (8S)-8-amino-7-oxononanoylcarnitine

Metabolic Reactions

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
Bacteria	Firmicutes	5	Human ; Human feces
Bacteria	Aquificae	1
Bacteria	Proteobacteria	14	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool
Bacteria	Actinobacteria	6	Cattle ; Human
Archaea/Archaea	Euryarchaeota	1
Bacteria	Cyanobacteria	1
Eukaryota/Fungi	Ascomycota	2
Bacteria	Bacteroidetes	5	Human feces; Human ; Pig

Exposure Sources

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Urine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	22409530
Human Blood	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0240687

DrugBank ID

DB02274

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

395028

KEGG Compound ID

C01092

BioCyc ID

8-AMINO-7-OXONONANOATE

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

448124

PDB ID

Not Available

ChEBI ID

149468

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Zhang T, Creek DJ, Barrett MP, Blackburn G, Watson DG: Evaluation of coupling reversed phase, aqueous normal phase, and hydrophilic interaction liquid chromatography with Orbitrap mass spectrometry for metabolomic studies of human urine. Anal Chem. 2012 Feb 21;84(4):1994-2001. doi: 10.1021/ac2030738. Epub 2012 Feb 1. [PubMed:22409530 ]

Showing metabocard for (S)-8-amino-7-oxononanoic acid (MMDBc0054107)

MOL for #<Metabolite:0x00007fdb4c2797f8>

3D MOL for #<Metabolite:0x00007fdb4c2797f8>

3D SDF for #<Metabolite:0x00007fdb4c2797f8>

3D-SDF for #<Metabolite:0x00007fdb4c2797f8>

PDB for #<Metabolite:0x00007fdb4c2797f8>

3D PDB for #<Metabolite:0x00007fdb4c2797f8>

SMILES for #<Metabolite:0x00007fdb4c2797f8>

INCHI for #<Metabolite:0x00007fdb4c2797f8>

Structure for #<Metabolite:0x00007fdb4c2797f8>

3D Structure for #<Metabolite:0x00007fdb4c2797f8>