Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:54:07 UTC
Update Date2024-04-30 19:33:37 UTC
Metabolite IDMMDBc0000748
Metabolite Identification
Common NameN2,N5-Diacetylornithine
DescriptionN2,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
Synonyms
ValueSource
BisorcicoChEBI
BisorcicumChEBI
N(2),N(5)-DiacetylornithineChEBI
BisorcicHMDB
N2,N5-Diacetyl-L-ornithineHMDB
N2,N5-DiacetylornithineHMDB
Molecular FormulaC9H16N2O4
Average Mass216.237
Monoisotopic Mass216.111007003
IUPAC Name(2S)-2,5-diacetamidopentanoic acid
Traditional Name(2S)-2,5-diacetamidopentanoic acid
CAS Registry NumberNot Available
SMILES
CC(=O)NCCC[C@H](NC(C)=O)C(O)=O
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 KeyXUYANFPPYJSBPU-QMMMGPOBSA-N