Molecule

6-Amino-2-hydroxypurine

AlkaPlorer ID: AK037308

Synonym: 6-Amino-1,3-dihydro-2H-purin-2-one, Isoguanine, Guanopterin

IUPAC Name: 6-amino-1,7-dihydropurin-2-one

SMILES: NC1=C2N=CN=C2NC(O)=N1

InChI: InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)

InChIKey: DRAVOWXCEBXPTN-UHFFFAOYSA-N

PubChem CID: 76900

CAS: 3373-53-3

NPASS: NPC312187

COCONUT: CNP0151504

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp.	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Croton tiglium	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prioneris thestylis	Prioneris	Pieridae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Molecule Weight: 151.12900000000002

TPSA？: 100.71

MolLogP？: -0.4077

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli (strain K12)	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	Inhibition	48.0	%	10.1016/j.bmc.2014.02.022
Escherichia coli (strain K12)	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase	Kd	7500.0	nM	10.1016/j.bmc.2014.02.022
None	Unchecked	IC50	100.0	ug.mL-1	10.1021/np50077a014

AKRT ID	Reaction	Reaction Link ID
AKRT020495	Nc1[nH]c(=O)nc2nc[nH]c12.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>Nc1[nH]c(=O)nc2c1[nH]c[n+]2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	enzymemap_39391
AKRT021068	Nc1nc(=O)[nH]c2[nH]cnc12>>O=c1[nH]c(=O)c2nc[nH]c2[nH]1	RXN0-6708
AKRT021625	Nc1ncnc2[nH]cnc12>>Nc1nc(=O)[nH]c2[nH]cnc12	RXN-15139
AKRT021626	Nc1ncnc2[nH]cnc12>>Nc1nc(=O)[nH]c2nc[nH]c12	MNXR187601