N52

(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate

Created:	2022-03-23
Last modified:	2022-07-20

Find Related PDB Entry
1 entries where N52 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	0

2D diagram of N52

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[2-[bis(oxidanyl)methyl]-2-oxidanyl-3-oxidanylidene-butyl] dihydrogen phosphate
Formula	C₅ H₁₁ O₈ P
Molecular Weight	230.11
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC(O)(C(O)O)C(C)=O
SMILES	CACTVS	3.385	CC(=O)[C](O)(CO[P](O)(O)=O)C(O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)C(COP(=O)(O)O)(C(O)O)O
Canonical SMILES	CACTVS	3.385	CC(=O)[C@@](O)(CO[P](O)(O)=O)C(O)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)C(COP(=O)(O)O)(C(O)O)O
InChI	InChI	1.03	InChI=1S/C5H11O8P/c1-3(6)5(9,4(7)8)2-13-14(10,11)12/h4,7-9H,2H2,1H3,(H2,10,11,12)/t5-/m0/s1
InChIKey	InChI	1.03	IYNPDRWOJYWTNN-YFKPBYRVSA-N

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.