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name Structure Reference Source Properties Activities Metabolism

[3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropoxy]phosphonic acid

AlkaPlorer ID: AK490500

Synonym: None

IUPAC Name: [3-(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)-2,3-dihydroxypropyl] dihydrogen phosphate

Structure

SMILES: NC1=NC2=C(N=C(C(O)C(O)COP(=O)(O)O)CN2)C(=O)N1

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InChI: InChI=1S/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)

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InChIKey: PLSQMGZYOGSOCE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Methanococcaceae Methanococcales Methanococci Euryarchaeota None Archaea

Properties Information

Molecule Weight: 335.213

TPSA？: 203.38

MolLogP？: -2.3188000000000004

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT021153 Nc1nc2c(c(=O)[nH]1)N=C(C(O)C(O)COP(=O)(O)O)CN2>>Nc1nc2c(c(=O)[nH]1)N=C(C(O)C(O)CO)CN2 MNXR151449
AKRT021154 Nc1nc2c(c(=O)[nH]1)N=C(C(O)C(O)COP(=O)(O)O)CN2>>Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CN2 MNXR192418