ChemFOnt: Showing chemical card for N2-Succinyl-L-glutamic acid 5-semialdehyde (CFc000000916)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:45:26 UTC

Chemfont ID

CFc000000916

Molecule Identification

Common Name

N2-Succinyl-L-glutamic acid 5-semialdehyde

Definition

N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). It can be found in Escherichia (UniProt).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid	ChEBI
N-(3-Carboxypropanoyl)-5-oxo-L-norvaline	ChEBI
N-Succinyl-L-glutamate 5-semialdehyde	ChEBI
(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoate	Generator
N-Succinyl-L-glutamic acid 5-semialdehyde	Generator
N2-Succinyl-L-glutamate 5-semialdehyde	Generator

Chemical Formula

C₉H₁₃NO₆

Average Molecular Weight

231.2026

Monoisotopic Molecular Weight

231.074287153

IUPAC Name

(2S)-2-(3-carboxypropanamido)-5-oxopentanoic acid

Traditional Name

(2S)-2-(3-carboxypropanamido)-5-oxopentanoic acid

CAS Registry Number

None

SMILES

OC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O

InChI Identifier

InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1

InChI Key

XTOKIEIBKARFSZ-LURJTMIESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-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

N-acyl-L-alpha-amino acids

Alternative Parents

Substituents

N-acyl-l-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty amide
Fatty acyl
Fatty acid
N-acyl-amine
Alpha-hydrogen aldehyde
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid
Aldehyde
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dicarboxylic acid monoamide (CHEBI:27657 )
glutamic semialdehyde (CHEBI:27657 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0001180)

Source

Endogenous

Endogenous (HMDB: HMDB0001180)

Microbe

Microbe (HMDB: HMDB0001180)
Escherichia coli (HMDB: HMDB0001180)

Exogenous

Exogenous (HMDB: HMDB0001180)

Food

Animal origin

Poultry

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

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Arginine Metabolism (PathBank: SMP0121274)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	5.57 g/L	ALOGPS
logP	-0.81	ALOGPS
logP	-1.4	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.38	ChemAxon
pKa (Strongest Basic)	-1.5	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	120.77 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	50.7 m³·mol⁻¹	ChemAxon
Polarizability	21.38 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