6-(2-hydroxypropanoyl)-1,2,3,4,4a,7-hexahydropteridine-2,4-dione

AlkaPlorer ID: AK029273

Synonym: None

IUPAC Name: 6-(2-hydroxypropanoyl)-4a,7-dihydro-1H-pteridine-2,4-dione

Structure

SMILES: CC(O)C(=O)C1=NC2C(O)=NC(O)=NC2=NC1

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InChI: InChI=1S/C9H10N4O4/c1-3(14)6(15)4-2-10-7-5(11-4)8(16)13-9(17)12-7/h3,5,14H,2H2,1H3,(H2,10,12,13,16,17)

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InChIKey: PBOYABLKUPLHMP-UHFFFAOYSA-N

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Reference

PubChem CID: 25200994

NPASS: NPC154351

COCONUT: CNP0264191

Properties Information

Molecule Weight: 238.203

TPSA: 127.2

MolLogP: -0.9578999999999996

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT013900 C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>CC(O)C(=O)C1=NC2C(=O)NC(=O)N=C2NC1 SEPIAPTERIN-DEAMINASE-RXN