ChemFOnt: Showing chemical card for Tricholomic acid (CFc000011625)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:59:26 UTC

Chemfont ID

CFc000011625

Molecule Identification

Common Name

Tricholomic acid

Definition

Tricholomic acid is found in mushrooms. Tricholomic acid is a constituent of the mushroom Tricholoma muscarium. Said to be useful as a flavouring substance

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Tricholomate	Generator
alpha-Amino-3-oxo-5-isoxazolidineacetic acid	MeSH
alpha-Amino-3-oxo-5-isoxazolidineacetic acid, (r,s)-isomer	MeSH
gamma-Cycloglutamate	MeSH
(2S)-amino[(5S)-3-Oxoisoxazolidin-5-yl]acetic acid	HMDB
2-(3-oxo-5-Isoxazolidinyl)glycine	HMDB
a-amino-3-oxo-5-Isoxazolidineacetic acid, 9ci	HMDB
alpha-Cycloglutamate	MeSH, HMDB
amino-(3'-Hydroxy-4',5'-dihydroisoxazol-5'-yl)acetic acid	MeSH, HMDB
2-Amino-2-(3-hydroxy-4,5-dihydro-1,2-oxazol-5-yl)acetate	Generator
Tricholomic acid	MeSH

Chemical Formula

C₅H₈N₂O₄

Average Molecular Weight

160.128

Monoisotopic Molecular Weight

160.048406754

IUPAC Name

2-amino-2-(3-oxo-1,2-oxazolidin-5-yl)acetic acid

Traditional Name

amino(3-oxo-1,2-oxazolidin-5-yl)acetic acid

CAS Registry Number

2644-49-7

SMILES

NC(C1CC(=O)NO1)C(O)=O

InChI Identifier

InChI=1S/C5H8N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h2,4H,1,6H2,(H,7,8)(H,9,10)

InChI Key

NTHMUJMQOXQYBR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Oxazolidinone
Isoxazolidine
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Azacycle
Oxacycle
Primary amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Amine
Carbonyl group
Organopnictogen compound
Hydrocarbon derivative
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030412)
Cytoplasm (HMDB: HMDB0030412)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0030412)

Source

Endogenous

Endogenous (HMDB: HMDB0030412)

Plant

Plant (HMDB: HMDB0030412)

Exogenous

Food

Food (HMDB: HMDB0030412)

Vegetable

Mushroom

Exogenous (HMDB: HMDB0030412)

Process

Not Available

Role

Industrial application

Food and nutrition

Food additive

Flavoring agent

Flavoring Agent (HMDB: HMDB0030412)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	272 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4	ChemAxon
logS	0.23	ALOGPS
pKa (Strongest Acidic)	1.69	ChemAxon
pKa (Strongest Basic)	9.11	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	101.65 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	32.3 m³·mol⁻¹	ChemAxon
Polarizability	13.87 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon