ChemFOnt: Showing chemical card for Serylleucine (CFc000010296)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:41 UTC

Chemfont ID

CFc000010296

Molecule Identification

Common Name

Serylleucine

Definition

Serylleucine is a dipeptide composed of serine and leucine. 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
L-Ser-L-leu	ChEBI
Serinyl-leucine	ChEBI
SL	ChEBI
L-Seryl-L-leucine	HMDB
N-L-Seryl-L-leucine	HMDB
N-Serylleucine	HMDB
S-L Dipeptide	HMDB
SL Dipeptide	HMDB
Ser-leu	HMDB
Serine leucine dipeptide	HMDB
Serine-leucine dipeptide	HMDB
Serinylleucine	HMDB
Seryl-leucine	HMDB
Serylleucine	ChEBI

Chemical Formula

C₉H₁₈N₂O₄

Average Molecular Weight

218.253

Monoisotopic Molecular Weight

218.126657068

IUPAC Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanoic acid

CAS Registry Number

6665-16-3

SMILES

CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(O)=O

InChI Identifier

InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1

InChI Key

NFDYGNFETJVMSE-BQBZGAKWSA-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
Leucine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid or derivatives
Branched fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Fatty acid
Fatty acyl
Carboxylic acid salt
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Carboxylic acid
Monocarboxylic acid or derivatives
Alcohol
Organonitrogen compound
Organooxygen compound
Primary alcohol
Primary aliphatic amine
Primary amine
Organic zwitterion
Organic salt
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74815 )

Functional Ontology

Not Available

Feces (PMID: 25486321)

Source

Endogenous

Endogenous (HMDB: HMDB0029043)

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	60.8 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.2	ChemAxon
logS	-0.56	ALOGPS
pKa (Strongest Acidic)	3.77	ChemAxon
pKa (Strongest Basic)	7.85	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	112.65 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	53.01 m³·mol⁻¹	ChemAxon
Polarizability	22.32 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0029043

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112051

KNApSAcK ID

Not Available

Chemspider ID

5378727

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7015694

PDB ID

Not Available

ChEBI ID

74815

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Serylleucine (CFc000010296)

MOL for CFc000010296 (Serylleucine)

3D MOL for CFc000010296 (Serylleucine)

3D SDF for CFc000010296 (Serylleucine)

3D-SDF for CFc000010296 (Serylleucine)

PDB for CFc000010296 (Serylleucine)

3D PDB for CFc000010296 (Serylleucine)

SMILES for CFc000010296 (Serylleucine)

INCHI for CFc000010296 (Serylleucine)

Structure for CFc000010296 (Serylleucine)

3D Structure for CFc000010296 (Serylleucine)