MiMeDB: Showing metabocard for N-Acetylcadaverine (MMDBc0000821)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 22:03:46 UTC

Update Date

2022-08-31 06:16:54 UTC

Metabolite ID

MMDBc0000821

Metabolite Identification

Common Name

N-Acetylcadaverine

Description

N-Acetylcadaverine is the acetylated form of the polyamine cadaverine. Cadaverine is produced by the breakdown of amino acids in living and dead organisms and is toxic in large doses. Cadaverine is largely responsible for the foul odor of putrefying flesh, but also contributes to the odor of such processes as bad breath and bacterial vaginosis. Cadaverine is also found in semen. Polyamines (and their acetylated forms) are known to be closely related with cell growth, cell proliferation, and synthesis of proteins and nucleic acids. Their concentrations are adjusted either by regulating the activity levels of the biosynthetic and catabolic reactions or by controlling the net direction of polyamine acetylation-deacetylation. In Alzheimer's disease (AD), the neurotoxic amyloid β-peptide is known to up-regulate polyamine metabolism by increasing ornithine decarboxylase activity and polyamine uptake by initiating free radical damage. Because of these findings, polyamines have been considered to play an important role in response to neurodegenerative conditions. Altered levels of polyamines have been found in tissue, hair and body fluids of patients with neuromuscular diseases and neurodegenerative conditions. (PMID: 17723614 ). N-Acetylcadaverine has been found to be a metabolite of several bacteria species (https://www.sciencedirect.com/science/article/pii/S209580991730423X).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₇H₁₆N₂O

Average Mass

144.2147

Monoisotopic Mass

144.126263144

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H16N2O/c1-7(10)9-6-4-2-3-5-8/h2-6,8H2,1H3,(H,9,10)

InChI Key

RMOIHHAKNOFHOE-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
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

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
Leukemia		Association	Human Urine	HMDB	9464484

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	6	Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Bacteroidetes	1		Indirect association between microbiota composition and metabolites measured in host biospecimen
Archaea	Euryarchaeota	1		Indirect association between microbiota composition and metabolites measured in host biospecimen
Archaea	Euryarchaeota	1	Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Proteobacteria	3	Human

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	0.16		0.04	0.87	Adult (>18 years old)	Both	Normal	HMDB	3757213
Human	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	9464484
Human	Detected but not Quantified					Adult (>18 years old)	Both	Leukemia	HMDB	9464484
Human	Detected and Quantified	0.279	0.17			Adult (>18 years old)	Both		HMDB	9464484
Human	Detected and Quantified	0.46	0.232			Adult (>18 years old)	Both	Leukemia	HMDB	9464484
Human	Detected but not Quantified					Adult (>18 years old)	Both	Colorectal Cancer	HMDB	27275383
Human	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	27543620
Human	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	29808030
Human	Detected and Quantified	0.460	0.232			Adult (>18 years old)	Both	Leukemia	HMDB	9464484
Human	Detected and Quantified	0.16		0.04	0.87	Adult (>18 years old)	Both	Normal	HMDB	3757213
Human	Detected and Quantified	0.279	0.17			Adult (>18 years old)	Both		HMDB	9464484
Human Urine	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	9464484
Human Feces	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	29808030
Human	Detected but not Quantified								HMDB

External Links

Not Available

General References

Abdel-Monem MM, Ohno K: Polyamine metabolism II: N-(Monoaminoalkyl)- and N-(polyaminoalkyl)acetamides in human urine. J Pharm Sci. 1977 Aug;66(8):1195-7. doi: 10.1002/jps.2600660837. [PubMed:894508 ]
Lee SH, Kim SO, Lee HD, Chung BC: Estrogens and polyamines in breast cancer: their profiles and values in disease staging. Cancer Lett. 1998 Nov 13;133(1):47-56. doi: 10.1016/s0304-3835(98)00189-x. [PubMed:9929159 ]
Paik MJ, Lee S, Cho KH, Kim KR: Urinary polyamines and N-acetylated polyamines in four patients with Alzheimer's disease as their N-ethoxycarbonyl-N-pentafluoropropionyl derivatives by gas chromatography-mass spectrometry in selected ion monitoring mode. Anal Chim Acta. 2006 Aug 18;576(1):55-60. doi: 10.1016/j.aca.2006.01.070. Epub 2006 Feb 24. [PubMed:17723614 ]

Showing metabocard for N-Acetylcadaverine (MMDBc0000821)

MOL for #<Metabolite:0x0000560be1e4f640>

3D MOL for #<Metabolite:0x0000560be1e4f640>

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PDB for #<Metabolite:0x0000560be1e4f640>

3D PDB for #<Metabolite:0x0000560be1e4f640>

SMILES for #<Metabolite:0x0000560be1e4f640>

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Structure for #<Metabolite:0x0000560be1e4f640>

3D Structure for #<Metabolite:0x0000560be1e4f640>