Molecule

2-Amino-4-hydroxy-6-pteridinecarboxylic acid

AlkaPlorer ID: AK026942

Synonym: 2-Amino-1,4-dihydro-4-oxo-6-pteridinecarboxylic acid, 2-Amino-4(3H)-pteridinone-6-carboxylic acid, Pterin-6-carboxylic acid, Ranachrome 5

IUPAC Name: 2-amino-4-oxo-3H-pteridine-6-carboxylic acid

Structure

SMILES: N=C1N=C(O)C2=NC(C(=O)O)=CN=C2N1

InChI: InChI=1S/C7H5N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h1H,(H,14,15)(H3,8,9,11,12,13)

InChIKey: QABAUCFGPWONOG-UHFFFAOYSA-N

Reference

Analysis of volatile compounds in fresh healthy and diseased peppers (Capsicum annuum L.) using solvent free solid injection coupled with gas chromatography-flame ionization detector and confirmation with mass spectrometry

PubChem CID: 135403803

CAS: 1501-50-4

LOTUS: LTS0038351

NPASS: NPC144223

COCONUT: CNP0197262

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Carassius auratus	Carassius	Cyprinidae	Cypriniformes	Actinopteri	Chordata	Metazoa	Eukaryota
Citrus reticulata	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capsicum annuum	Capsicum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Elettaria cardamomum	Elettaria	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Citrus unshiu	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pelophylax plancyi	Pelophylax	Ranidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Pelophylax nigromaculatus	Pelophylax	Ranidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 207.149

TPSA？: 135.84

MolLogP？: -0.7638300000000002

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus anthracis	Dihydropteroate synthase	IC50	nan	None	10.1021/jm900861d
Bacillus anthracis	Dihydropteroate synthase	Inhibition	37.0	%	10.1021/jm900861d
Homo sapiens	Aldose reductase	IC50	nan	None	10.1016/j.bmcl.2016.09.033
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	102.12	%	10.1124/mol.112.084152
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	99.97	%	10.1124/mol.112.084152

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT016346	N=c1[nH]c(=O)c2nc(C(=O)O)cnc2[nH]1>>O=C(O)c1cnc2[nH]c(=O)[nH]c(=O)c2n1	enzymemap_79075