Molecule

2-Amino-6-(hydroxymethyl)-4(1H)-pteridinone

AlkaPlorer ID: AK055680

Synonym: 6-Hydroxymethylpterin, Ranachrome 3, 2-Amino-4-hydroxy-6-(hydroxymethyl)pteridine

IUPAC Name: 2-amino-6-(hydroxymethyl)-3H-pteridin-4-one

SMILES: N=C1N=C(O)C2=C(N=CC(CO)=N2)N1

InChI: InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)

InChIKey: XGWIBNWDLMIPNF-UHFFFAOYSA-N

PubChem CID: 135415975

CAS: 712-29-8

NPASS: NPC63433

COCONUT: CNP0357011

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pelophylax plancyi	Pelophylax	Ranidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Pelophylax nigromaculatus	Pelophylax	Ranidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota

Molecule Weight: 193.166

TPSA？: 118.77

MolLogP？: -0.9697300000000004

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Nitric-oxide synthase, brain	IC50	180000.0	nM	10.1021/jm020074g

AKRT ID	Reaction	Reaction Link ID
AKRT016364	N=c1[nH]c(=O)c2nc(CO)cnc2[nH]1>>N=c1[nH]c2c(c(=O)[nH]1)N=C(CO)CN2	enzymemap_23043
AKRT021609	Nc1nc2ncc(CO)nc2c(=O)[nH]1>>Nc1nc2c(c(=O)[nH]1)N=C(CO)CN2	enzymemap_23043
AKRT024122	O=c1[nH]c(=O)c2nc(CO)cnc2[nH]1>>N=c1nc(O)c2nc(CO)cnc2[nH]1	MNXR172119