2PH

[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where 2PH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	6

2D diagram of 2PH

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Chemical Component Summary
Name	[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methyl phosphono hydrogen phosphate
Formula	C₇ H₁₁ N₅ O₈ P₂
Molecular Weight	355.138
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OCC1=NC=2C(=O)NC(=NC=2NC1)N
SMILES	CACTVS	3.341	NC1=NC2=C(N=C(CN2)CO[P](O)(=O)O[P](O)(O)=O)C(=O)N1
SMILES	OpenEye OEToolkits	1.5.0	C1C(=NC2=C(N1)N=C(NC2=O)N)COP(=O)(O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	NC1=NC2=C(N=C(CN2)CO[P@](O)(=O)O[P](O)(O)=O)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
InChIKey	InChI	1.03	FCQGJGLSOWZZON-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	666, 5280734, 135398612
ChEMBL	CHEMBL1229984
ChEBI	CHEBI:15998, CHEBI:73083

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.