ChemFOnt: Showing chemical card for Arginylmethionine (CFc000009984)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:17 UTC

Chemfont ID

CFc000009984

Molecule Identification

Common Name

Arginylmethionine

Definition

Arginylmethionine is a dipeptide composed of arginine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Arginyl-methionine	ChEBI
L-Arg-L-met	ChEBI
RM	ChEBI
Arg-met	HMDB
Arginine methionine dipeptide	HMDB
Arginine-methionine dipeptide	HMDB
L-Arginyl-L-methionine	HMDB
N-Arginylmethionine	HMDB
N-L-Arginyl-L-methionine	HMDB
R-m Dipeptide	HMDB
RM Dipeptide	HMDB
Arginylmethionine	ChEBI

Chemical Formula

C₁₁H₂₃N₅O₃S

Average Molecular Weight

305.4

Monoisotopic Molecular Weight

305.152160795

IUPAC Name

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-(methylsulfanyl)butanoic acid

CAS Registry Number

45243-23-0

SMILES

CSCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C11H23N5O3S/c1-20-6-4-8(10(18)19)16-9(17)7(12)3-2-5-15-11(13)14/h7-8H,2-6,12H2,1H3,(H,16,17)(H,18,19)(H4,13,14,15)/t7-,8-/m0/s1

InChI Key

ROWCTNFEMKOIFQ-YUMQZZPRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Methionine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Thia fatty acid
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Amino acid or derivatives
Carboxamide group
Guanidine
Amino acid
Secondary carboxylic acid amide
Dialkylthioether
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Sulfenyl compound
Carboximidamide
Thioether
Carboxylic acid
Monocarboxylic acid or derivatives
Primary amine
Organic oxide
Amine
Primary aliphatic amine
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organosulfur compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73817 )

Functional Ontology

Not Available

Feces (PMID: 25037050)

Source

Endogenous

Endogenous (HMDB: HMDB0028715)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.36 g/L	ALOGPS
logP	-3.2	ALOGPS
logP	-3	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	3.71	ChemAxon
pKa (Strongest Basic)	12.04	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	154.32 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	88.31 m³·mol⁻¹	ChemAxon
Polarizability	32.54 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0028715

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111772

KNApSAcK ID

Not Available

Chemspider ID

5382946

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7019989

PDB ID

Not Available

ChEBI ID

73817

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Arginylmethionine (CFc000009984)

MOL for CFc000009984 (Arginylmethionine)

3D MOL for CFc000009984 (Arginylmethionine)

3D SDF for CFc000009984 (Arginylmethionine)

3D-SDF for CFc000009984 (Arginylmethionine)

PDB for CFc000009984 (Arginylmethionine)

3D PDB for CFc000009984 (Arginylmethionine)

SMILES for CFc000009984 (Arginylmethionine)

INCHI for CFc000009984 (Arginylmethionine)

Structure for CFc000009984 (Arginylmethionine)

3D Structure for CFc000009984 (Arginylmethionine)