PCT

PHOSPHONOACETAMIDE

Created:	2001-01-24
Last modified:	2011-06-04

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10 entries where PCT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	0

2D diagram of PCT

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Chemical Component Summary
Name	PHOSPHONOACETAMIDE
Systematic Name (OpenEye OEToolkits)	(2-amino-2-oxo-ethyl)phosphonic acid
Formula	C₂ H₆ N O₄ P
Molecular Weight	139.047
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N)CP(=O)(O)O
SMILES	CACTVS	3.341	NC(=O)C[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)N)P(=O)(O)O
Canonical SMILES	CACTVS	3.341	NC(=O)C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)N)P(=O)(O)O
InChI	InChI	1.03	InChI=1S/C2H6NO4P/c3-2(4)1-8(5,6)7/h1H2,(H2,3,4)(H2,5,6,7)
InChIKey	InChI	1.03	AKVIWWJLBFWFLM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73188

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.