Molecule

4-amino-2-methyl-5-phosphonatooxymethylpyrimidine(2-)

AlkaPlorer ID: AK006896

Synonym: '4-amino-2-methyl-5-phosphonatooxymethylpyrimidine dianion', '4-amino-2-methyl-5-phosphooxymethylpyrimidine', '4-amino-2-methyl-5-phosphonatooxymethylpyrimidine', 'HMP-P', '4-Amino-5-phosphomethyl-2-methylpyrimidine', '4-Amino-2-methyl-5-phosphomethylpyrimidine', '4-amino-2-methyl-5-hydroxymethylpyrimidine phosphate', '4-amino-5-phosphomethyl-2-methylpyrimidine', '4-amino-2-methyl-5-(phosphooxymethyl)pyrimidine', '4-amino-2-methyl-5-phosphonooxymethylpyrimidine'

IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methyl phosphate

Structure

SMILES: CC1=NC=C(COP(=O)([O-])[O-])C(N)=N1

InChI: InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)/p-2

InChIKey: PKYFHKIYHBRTPI-UHFFFAOYSA-L

Reference

PubChem CID: 25244846

CAS: 945-94-8

NPASS: NPC322098

COCONUT: CNP0359160

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Saccharomyces cerevisiae	Saccharomyces	Saccharomycetaceae	Saccharomycetales	Saccharomycetes	Ascomycota	Fungi	Eukaryota
Escherichia coli	Escherichia	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 217.121

TPSA？: 124.22

MolLogP？: -1.2874799999999993

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000629	N[C@@H](CCCC/N=C/c1c(COP(=O)(O)O)cnc(C)c1O)C()=O>>Cc1ncc(COP(=O)(O)O)c(N)n1	RXN3O-3797
AKRT015288	Cc1ncc(CO)c(=N)[nH]1>>Cc1ncc(COP(=O)(O)O)c(=N)[nH]1	enzymemap_44556
AKRT015312	Cc1ncc(CO)c(N)n1>>Cc1ncc(COP(=O)(O)O)c(N)n1	OHMETPYRKIN-RXN
AKRT015313	Cc1ncc(COP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT015314	Cc1ncc(COP(=O)(O)O)c(=N)[nH]1>>Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(=N)[nH]1	enzymemap_44714
AKRT015372	Cc1ncc(COP(=O)(O)O)c(N)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(N)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	None
AKRT015373	Cc1ncc(COP(=O)(O)O)c(N)n1.O=CO.O=CO>>Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	MNXR142625
AKRT015374	Cc1ncc(COP(=O)(O)O)c(N)n1>>Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(N)n1	PYRIMSYN3-RXN
AKRT015379	Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(N)n1>>Cc1ncc(COP(=O)(O)O)c(N)n1	RXN0-3543
AKRT021067	Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)O)c(N)n1	PYRIMSYN1-RXN