Chemical Components in the PDB

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PMM : Summary

Code

PMM

One-letter code

X

Molecule name

PTERIN-6-YL-METHYL-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 (2-amino-4-oxo-3H-pteridin-6-yl)methyl dihydrogen phosphate

Formula

C7 H8 N5 O5 P

Formal charge

0

Molecular weight

273.143 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N
SMILES CACTVS 3.341 NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1
SMILES OpenEye OEToolkits 1.5.0 c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O
Canonical SMILES CACTVS 3.341 NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O

IUPAC InChI

InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)

IUPAC InChI key

AJXFJEHKGGCFNM-UHFFFAOYSA-N
PMM

wwPDB Information

Atom count

26 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-05-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned