MiMeDB: Showing metabocard for N2-Acetylornithine (MMDBc0000600)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:50:50 UTC

Update Date

2024-04-30 19:33:13 UTC

Metabolite ID

MMDBc0000600

Metabolite Identification

Common Name

N2-Acetylornithine

Description

N2-Acetylornithine, also known as N(alpha)-acetylornithine, belongs to the class of organic compounds known as N-acyl-L-alpha-amino acids. These are N-acylated alpha-amino acids which have the L-configuration of the alpha-carbon atom. N-Acetylornithine is a minor component of the deproteinized blood plasma of human blood. Human blood plasma contains a variable amount of acetylornithine, averaging 1.1 +/- 0.4 umol/L (range 0.8-0.2 umol/L). Urine contains a very small amount of acetylornithine, approximately 1 nmol/mg creatinine (1 umol/day) (PMID:508804 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₇H₁₄N₂O₃

Average Mass

174.1977

Monoisotopic Mass

174.100442324

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1

InChI Key

JRLGPAXAGHMNOL-LURJTMIESA-N

Chemical Taxonomy

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
Feces
Prostate
Saliva
Urine

Tissue Locations

Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192200	Aminoacylase-1	Unknown	Q03154	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000199	N2-Acetylornithine	Acetic acid	aminoacylase 1	VMH; KEGG	2006156
MMDBr0007044	N2-Acetylornithine	N-Acetyl-L-glutamate 5-semialdehyde	Not Available	VMH	30371894
MMDBr0007130	N2-Acetylornithine	N-Acetylglutamic acid	Not Available	VMH	30371894
MMDBr0007698	N2-Acetylornithine	Acetic acid	Not Available	VMH	30371894
MMDBr0008261	N2-Acetylornithine	N-Acetyl-L-citrulline	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Eosinophilic esophagitis	Slight Decrease	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Firmicutes	368	Human stool; Human ; Human feces; Human urine; Human pleural fluid plaque; Pig ; Human sputum; Human subgingival plaque; Human saliva; Human mucosa; Human supragingival plaque; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	286	Human ; Human mucosa; Human stool; Human supragingival plaque; Human feces; Human saliva; Human subgingival plaque; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Cattle ; Chicken	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Actinobacteria	18	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	126	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	124	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	26	Human stool; Human ; Human feces; Human urine; Human pleural fluid plaque; Pig ; Human sputum; Human subgingival plaque; Human saliva; Human mucosa; Human supragingival plaque; Cattle	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	14	Human ; Human mucosa; Human stool; Human supragingival plaque; Human feces; Human saliva; Human subgingival plaque; Human sputum; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Cattle ; Chicken	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	3	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	17	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	59	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Aquificae	1
Archaea/Archaea	Euryarchaeota	11		Metabolic reconstruction
Bacteria/Eubacteria	Chlorobi	2
Eukaryota/Fungi	Basidiomycota	7
Bacteria/Eubacteria	Chloroflexi	2
Bacteria/Eubacteria	Deinococcus-thermus	3
Bacteria/Eubacteria	Cyanobacteria	9
Bacteria	nah	1
Bacteria/Eubacteria	Thermotogae	2
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction

Exposure Sources

Source Type	Activity	Data Source	Reference

Source Type	Source Sub-type	Source Name	Data Source	Reference
Animal	Milk	Cow	FooDB	30994344
Plant	Not Available	Broccoli	FooDB	Manually Annotated
Plant	Not Available	Carrot	FooDB	Manually Annotated
Plant	Not Available	Common bean	FooDB	Manually Annotated
Plant	Not Available	Cucumber	FooDB	Manually Annotated
Plant	Not Available	Dill	FooDB	Manually Annotated
Plant	Not Available	Eggplant	FooDB	Manually Annotated
Plant	Not Available	Garden onion	FooDB	Manually Annotated
Plant	Not Available	Green zucchini	FooDB	Manually Annotated
Plant	Not Available	Nanking cherry	FooDB	Manually Annotated
Plant	Not Available	Parsnip	FooDB	Manually Annotated
Plant	Not Available	Pepper	FooDB	Manually Annotated
Plant	Not Available	Potato	FooDB	Manually Annotated
Plant	Not Available	Red beetroot	FooDB	Manually Annotated
Plant	Not Available	Red raspberry	FooDB	Manually Annotated
Plant	Not Available	Romaine lettuce	FooDB	Manually Annotated
Plant	Not Available	Saskatoon berry	FooDB	Manually Annotated
Plant	Not Available	Spinach	FooDB	Manually Annotated
Plant	Not Available	Sunburst squash (pattypan squash)	FooDB	Manually Annotated
Plant	Not Available	Swiss chard	FooDB	Manually Annotated
Plant	Not Available	Turnip	FooDB	Manually Annotated
Plant	Not Available	White cabbage	FooDB	Manually Annotated
Plant	Not Available	Winter squash	FooDB	Manually Annotated

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
Human Urine	Detected and Quantified			0.12	3.46	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	32340350
Human Urine	Detected and Quantified	0.41		0.12	3.50	umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	HMDB	32340350
Human Urine	Detected and Quantified	0.42		0.14	3.3	umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	HMDB	32340350
Human Blood	Detected and Quantified	1.03	0.78			uM	Adult (>18 years old)	Both	Normal	HMDB	28278231
Human Blood	Detected and Quantified	1.1	0.4			uM	Adult (>18 years old)	Both	Normal	HMDB	508804
Human Urine	Detected and Quantified	1.3		0.5	2.8	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Feces	Detected and Quantified	10	10			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	27624970
Human Urine	Detected and Quantified	1.5724	1.5478			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	2.4596	1.69			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Saliva	Detected and Quantified	1.73	1.27			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human Blood	Detected and Quantified			0.30	2.00	uM	Adult (>18 years old)	Both	Normal	HMDB	Molecular You (https://molecularyou.com)
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	22308371
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 Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Armstrong MD: N-delta-acetylornithine and S-methylcysteine in blood plasma. Biochim Biophys Acta. 1979 Nov 1;587(4):638-42. doi: 10.1016/0304-4165(79)90015-1. [PubMed:508804 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]

Showing metabocard for N2-Acetylornithine (MMDBc0000600)

MOL for #<Metabolite:0x00007f3e1813af30>

3D MOL for #<Metabolite:0x00007f3e1813af30>

3D SDF for #<Metabolite:0x00007f3e1813af30>

3D-SDF for #<Metabolite:0x00007f3e1813af30>

PDB for #<Metabolite:0x00007f3e1813af30>

3D PDB for #<Metabolite:0x00007f3e1813af30>

SMILES for #<Metabolite:0x00007f3e1813af30>

INCHI for #<Metabolite:0x00007f3e1813af30>

Structure for #<Metabolite:0x00007f3e1813af30>

3D Structure for #<Metabolite:0x00007f3e1813af30>