FComEx: Pterin (PC000263)

Record Information

Version

1.0

Creation date

2015-10-09 22:29:33 UTC

Update date

2017-01-19 02:36:18 UTC

FoodComEx ID

PC000263

FoodDB Record

FDB005613

Chemical Information

Name

Pterin

Description

Pterin is a chemical compound composed of a pyrazine ring and a pyrimidine ring; Pterin is a heterocyclic compound composed of a pyrazine ring and a pyrimidine ring (a pteridine ring system); the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. As a group, pterins are compounds that are derivatives of 2-amino-4-oxopteridine, with additional functional groups attached to the pyrazine ring.; the pyrimidine ring has a carbonyl oxygen and an amino group. Several tautomers of pterin exist and are shown below. Pterin belongs to the pteridine family of heterocycles. -- Wikipedia. Pterin is found in soy bean.

CAS Number

2236-60-4

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
2-amino-1H-pteridin-4-one	biospider
2-amino-3H-pteridin-4-one	biospider
2-Amino-4-hydroxypteridine	biospider
2-Amino-4-oxodihydropteridine	biospider
2-Amino-4-oxopteridine	biospider
2-amino-4-pteridinol	biospider
2-Amino-4-pteridone	biospider
2-Amino-4(1H)-pteridinone	biospider
2-Amino-4(3H)-pteridinone	biospider
2-amino-Quinonoid dihydropterin	biospider
2-aminopteridin-4-ol	biospider
2-Aminopteridin-4-one	biospider
2-aminopteridin-4(1H)-one	biospider
2-aminopteridin-4(3H)-one	biospider
4-Oxo-2-aminopteridine	biospider
4-Oxopterin	biospider
4(1H)-Pteridinone, 2-amino-	biospider
4(3H)-pteridinone, 2-amino-	biospider
H2-pterin	biospider
Pteridoxamine	biospider
Pterin (van)	biospider
Pterine	biospider
Quinonoid dihydropterin, 2-amino-	biospider

Chemical Formula

C6H5N5O

IUPAC name

2-amino-3,4-dihydropteridin-4-one

InChI Identifier

InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)

InChI Key

HNXQXTQTPAJEJL-UHFFFAOYSA-N

Isomeric SMILES

NC1=NC2=NC=CN=C2C(=O)N1

Average Molecular Weight

163.1368

Monoisotopic Molecular Weight

163.049409807

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Pterins and derivatives

Alternative Parents