ChemFOnt: Showing chemical card for 4-Amino-5-oxo-pentanoic acid (CFc000225885)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:49:40 UTC

Chemfont ID

CFc000225885

Molecule Identification

Common Name

4-Amino-5-oxo-pentanoic acid

Definition

4-Amino-5-oxo-pentanoic acid, also known as glutamate-1-semialdehyde, belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Based on a literature review a significant number of articles have been published on 4-Amino-5-oxo-pentanoic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-Amino-5-oxo-pentanoate	Generator
4-Amino-5-oxopentanoate	HMDB
Glutamate-1-semialdehyde	HMDB

Chemical Formula

C₅H₉NO₃

Average Molecular Weight

131.1299

Monoisotopic Molecular Weight

131.058243159

IUPAC Name

4-amino-5-oxopentanoic acid

Traditional Name

4-amino-5-oxo-pentanoic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(O)=O)C=O

InChI Identifier

InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)

InChI Key

MPUUQNGXJSEWTF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Gamma amino acids and derivatives

Alternative Parents

Substituents

Gamma amino acid or derivatives
Amino fatty acid
Fatty acid
Fatty acyl
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Aldehyde
Carbonyl group
Organic nitrogen compound
Amine
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	143 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-3.4	ChemAxon
logS	0.04	ALOGPS
pKa (Strongest Acidic)	4.03	ChemAxon
pKa (Strongest Basic)	8.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	80.39 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	30.36 m³·mol⁻¹	ChemAxon
Polarizability	12.57 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

HMDB0246349

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00019659

Chemspider ID

722

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

742

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 4-Amino-5-oxo-pentanoic acid (CFc000225885)

MOL for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

3D MOL for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

3D SDF for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

3D-SDF for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

PDB for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

3D PDB for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

SMILES for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

INCHI for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

Structure for CFc000225885 (4-Amino-5-oxo-pentanoic acid)

3D Structure for CFc000225885 (4-Amino-5-oxo-pentanoic acid)