ChemFOnt: Showing chemical card for Arginylglycine (CFc000009978)

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

CFc000009978

Molecule Identification

Common Name

Arginylglycine

Definition

Arginylglycine is a dipeptide composed of arginine and glycine. 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
2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}acetate	HMDB
Arg-gly	HMDB
Arginine glycine dipeptide	HMDB
Arginine-glycine dipeptide	HMDB
Arginyl-glycine	HMDB
L-Arg-gly	HMDB
L-Arginylglycine	HMDB
N-Arginylglycine	HMDB
N-L-Arginylglycine	HMDB
R-g Dipeptide	HMDB
RG Dipeptide	HMDB

Chemical Formula

C₈H₁₇N₅O₃

Average Molecular Weight

231.256

Monoisotopic Molecular Weight

231.133139427

IUPAC Name

2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetic acid

Traditional Name

[(2S)-2-amino-5-carbamimidamidopentanamido]acetic acid

CAS Registry Number

2418-67-9

SMILES

N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C8H17N5O3/c9-5(2-1-3-12-8(10)11)7(16)13-4-6(14)15/h5H,1-4,9H2,(H,13,16)(H,14,15)(H4,10,11,12)/t5-/m0/s1

InChI Key

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0028709)

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	0.84 g/L	ALOGPS
logP	-3.7	ALOGPS
logP	-4.2	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	3.63	ChemAxon
pKa (Strongest Basic)	12.13	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	7	ChemAxon
Refractivity	66.73 m³·mol⁻¹	ChemAxon
Polarizability	23.3 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

HMDB0028709

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111766

KNApSAcK ID

C00057967

Chemspider ID

125952

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

142765

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Arginylglycine (CFc000009978)

MOL for CFc000009978 (Arginylglycine)

3D MOL for CFc000009978 (Arginylglycine)

3D SDF for CFc000009978 (Arginylglycine)

3D-SDF for CFc000009978 (Arginylglycine)

PDB for CFc000009978 (Arginylglycine)

3D PDB for CFc000009978 (Arginylglycine)

SMILES for CFc000009978 (Arginylglycine)

INCHI for CFc000009978 (Arginylglycine)

Structure for CFc000009978 (Arginylglycine)

3D Structure for CFc000009978 (Arginylglycine)