Chemical Components in the PDB

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MP5 : Summary

Code

MP5

One-letter code

X

Molecule name

(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 (4-amino-2-methyl-pyrimidin-5-yl)methyl dihydrogen phosphate

Formula

C6 H10 N3 O4 P

Formal charge

0

Molecular weight

219.135 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCc1cnc(nc1N)C
SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(N)n1
SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)COP(=O)(O)O
Canonical SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(N)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)COP(=O)(O)O

IUPAC 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)

IUPAC InChI key

PKYFHKIYHBRTPI-UHFFFAOYSA-N
MP5

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned