Molecule

Sepiapterin; (S)-form

AlkaPlorer ID: AK313352

Synonym: L-form

IUPAC Name: 2-amino-6-(2-hydroxypropanoyl)-7,8-dihydro-3H-pteridin-4-one

SMILES: CC(O)C(=O)C1=NC2=C(NC1)NC(=N)N=C2O

InChI: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)

InChIKey: VPVOXUSPXFPWBN-UHFFFAOYSA-N

PubChem CID: 135433595

CAS: 11056-08-9

LOTUS: LTS0157629

COCONUT: CNP0254717.1

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Drosophila melanogaster	Drosophila	Drosophilidae	Diptera	Insecta	Arthropoda	Metazoa	Eukaryota

Molecule Weight: 237.219

TPSA？: 134.45

MolLogP？: -0.9573300000000008

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
AKRT006598	CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>CC=O	32147
AKRT006599	CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>Nc1nc2c(c(=O)[nH]1)NC(C(=O)O)CN2	32147
AKRT006600	CC(O)C(=O)C1CNc2[nH]c(=N)[nH]c(=O)c2N1>>CC(O)C(=O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1	enzymemap_1421
AKRT006602	CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1>>CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1	enzymemap_1421