ChemFOnt: Showing chemical card for Serylserine (CFc000010301)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:57:42 UTC

Chemfont ID

CFc000010301

Molecule Identification

Common Name

Serylserine

Definition

Serylserine is a dipeptide composed of two serine residues. 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
H-L-Ser-L-ser-OH	ChEBI
H-Ser-ser-OH	ChEBI
L-Ser-L-ser	ChEBI
S-S	ChEBI
SS	ChEBI
(2S)-2-{[(2S)-2-amino-1,3-dihydroxypropylidene]amino}-3-hydroxypropanoate	HMDB
L-Seryl-L-serine	HMDB
N-L-Seryl-L-serine	HMDB
N-Serylserine	HMDB
S-S Dipeptide	HMDB
SS Dipeptide	HMDB
Ser-ser	HMDB
Serine serine dipeptide	HMDB
Serine-serine dipeptide	HMDB
Serinyl-serine	HMDB
Serinylserine	HMDB
Seryl-serine	HMDB
Serylserine	ChEBI

Chemical Formula

C₆H₁₂N₂O₅

Average Molecular Weight

192.171

Monoisotopic Molecular Weight

192.074621494

IUPAC Name

(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanoic acid

Traditional Name

L-serine, N-L-seryl-

CAS Registry Number

6620-95-7

SMILES

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

InChI Identifier

InChI=1S/C6H12N2O5/c7-3(1-9)5(11)8-4(2-10)6(12)13/h3-4,9-10H,1-2,7H2,(H,8,11)(H,12,13)/t3-,4-/m0/s1

InChI Key

XZKQVQKUZMAADP-IMJSIDKUSA-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-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Serine or derivatives
Alpha-amino acid or derivatives
Beta-hydroxy acid
Hydroxy acid
Amino acid or derivatives
Amino acid
Carboxamide group
Carboxylic acid salt
Secondary carboxylic acid amide
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:73653 )

Functional Ontology

Not Available

Endogenous (HMDB: HMDB0029048)

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	89.2 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-5.5	ChemAxon
logS	-0.33	ALOGPS
pKa (Strongest Acidic)	3.3	ChemAxon
pKa (Strongest Basic)	7.85	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	132.88 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	40.88 m³·mol⁻¹	ChemAxon
Polarizability	17.59 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

HMDB0029048

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB112055

KNApSAcK ID

Not Available

Chemspider ID

5382072

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7019104

PDB ID

Not Available

ChEBI ID

73653

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Serylserine (CFc000010301)

MOL for CFc000010301 (Serylserine)

3D MOL for CFc000010301 (Serylserine)

3D SDF for CFc000010301 (Serylserine)

3D-SDF for CFc000010301 (Serylserine)

PDB for CFc000010301 (Serylserine)

3D PDB for CFc000010301 (Serylserine)

SMILES for CFc000010301 (Serylserine)

INCHI for CFc000010301 (Serylserine)

Structure for CFc000010301 (Serylserine)

3D Structure for CFc000010301 (Serylserine)