RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135912
RefMet name	Ornithine
Systematic name	(2S)-2,5-diaminopentanoic acid
Synonyms	PubChem Synonyms
Exact mass	132.089878 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C5H12N2O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37139 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKey	AHLPHDHHMVZTML-BYPYZUCNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(C[C@@H](C(=O)O)N)CN Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Ornithine in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Ornithine
External Links
Pubchem CID	6262
ChEBI ID	18257
KEGG ID	C00077
HMDB ID	HMDB0000214
Chemspider ID	6026
MetaCyc ID	L-ORNITHINE
EPA CompTox	DTXCID40197342
Spectral data for Ornithine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Ornithine

Rxn ID	KEGG Reaction	Enzyme
R00551	L-Arginine + H2O <=> L-Ornithine + Urea	L-Arginine amidinohydrolase
R00667	L-Ornithine + 2-Oxoglutarate <=> L-Glutamate 5-semialdehyde + L-Glutamate	L-Ornithine:2-oxo-acid aminotransferase
R00669	N-Acetylornithine + H2O <=> Acetate + L-Ornithine	N2-Acetyl-L-ornithine amidohydrolase
R00670	L-Ornithine <=> Putrescine + CO2	L-ornithine carboxy-lyase (putrescine-forming)
R02282	N-Acetylornithine + L-Glutamate <=> L-Ornithine + N-Acetyl-L-glutamate	N2-Acetyl-L-ornithine:L-glutamate N-acetyltransferase

Table of KEGG human pathways containing Ornithine

Pathway ID	Human Pathway	# of reactions
hsa00220	Arginine biosynthesis	3
hsa00330	Arginine and proline metabolism	3
hsa01230	Biosynthesis of amino acids	3
hsa00480	Glutathione metabolism	1
hsa01100	Metabolic pathways	1
hsa01210	2-Oxocarboxylic acid metabolism	1