Molecule

Biopterin

AlkaPlorer ID: AK018223

Synonym: '22150-76-1'

IUPAC Name: 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-3H-pteridin-4-one

SMILES: C[C@H](O)[C@H](O)C1=CN=C2NC(=N)N=C(O)C2=N1

InChI: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1

InChIKey: LHQIJBMDNUYRAM-DZSWIPIPSA-N

PubChem CID: 135403659

CAS: 11119-58-7

NPASS: NPC222465

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Apis cerana	Apis	Apidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Molecule Weight: 237.219

TPSA？: 139.0

MolLogP？: -1.0478300000000005

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT006621	CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1>>C[C@H](O)[C@H](O)c1cnc2nc(N)[nH]c(=O)c2n1	MNXR173027
AKRT013965	C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1>>C[C@H](O)[C@H](O)c1cnc2nc(N)[nH]c(=O)c2n1	1.1.1.253-RXN
AKRT013966	C[C@H](O)[C@H](O)c1cnc2[nH]c(=N)[nH]c(=O)c2n1>>C[C@H](O)[C@H](O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1	enzymemap_23091
AKRT013967	C[C@H](O)[C@H](O)c1cnc2nc(N)[nH]c(=O)c2n1>>CC(O)C(O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1	MNXR173904
AKRT013968	C[C@H](O)[C@H](O)c1cnc2nc(N)[nH]c(=O)c2n1>>C[C@@H](O)[C@@H](O)c1cnc2nc(O)nc(O)c2n1	MNXR172120
AKRT013969	C[C@H](O)[C@H](O)c1cnc2nc(N)[nH]c(=O)c2n1>>C[C@H](O)[C@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1	enzymemap_23091
AKRT013970	C[C@H](O)[C@H](O)c1cnc2nc(N)[nH]c(=O)c2n1>>C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1	1.1.1.253-RXN