MiMeDB: Showing metabocard for N2,N5-Diacetylornithine (MMDBc0000748)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:54:07 UTC

Update Date

2022-08-31 06:11:53 UTC

Metabolite ID

MMDBc0000748

Metabolite Identification

Common Name

N2,N5-Diacetylornithine

Description

N2,N5-Diacetylornithine, also known as bisorcic, 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. N2,N5-Diacetylornithine is an N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5. N2,N5-Diacetylornithine was identified as one of forty plasma metabolites that could be used to predict gut microbiome Shannon diversity (PMID: 31477923 ). Shannon diversity is a metric that summarizes both species abundance and evenness, and it has been suggested as a marker for microbiome health.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₉H₁₆N₂O₄

Average Mass

216.237

Monoisotopic Mass

216.111007003

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H16N2O4/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15)/t8-/m0/s1

InChI Key

XUYANFPPYJSBPU-QMMMGPOBSA-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

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	2		Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Blood	Detected but not Quantified	Adult (>18 years old)	Both	Normal	HMDB	31477923
Human Blood	Detected but not Quantified	Adult (40 years old)	Both	Normal	HMDB	26317986

External Links

Not Available

General References

Wilmanski T, Rappaport N, Earls JC, Magis AT, Manor O, Lovejoy J, Omenn GS, Hood L, Gibbons SM, Price ND: Blood metabolome predicts gut microbiome alpha-diversity in humans. Nat Biotechnol. 2019 Oct;37(10):1217-1228. doi: 10.1038/s41587-019-0233-9. Epub 2019 Sep 2. [PubMed:31477923 ]

Showing metabocard for N2,N5-Diacetylornithine (MMDBc0000748)

MOL for #<Metabolite:0x00007f1240f71378>

3D MOL for #<Metabolite:0x00007f1240f71378>

3D SDF for #<Metabolite:0x00007f1240f71378>

3D-SDF for #<Metabolite:0x00007f1240f71378>

PDB for #<Metabolite:0x00007f1240f71378>

3D PDB for #<Metabolite:0x00007f1240f71378>

SMILES for #<Metabolite:0x00007f1240f71378>

INCHI for #<Metabolite:0x00007f1240f71378>

Structure for #<Metabolite:0x00007f1240f71378>

3D Structure for #<Metabolite:0x00007f1240f71378>