PY0

(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate

Created:	2009-01-21
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where PY0 is found as a standalone ligand2 entries where PY0 is covalently linked to polymer or other heterogen groups

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	-1
Atom Count	15
Chiral Atom Count	2
Bond Count	14
Aromatic Bond Count	0

2D diagram of PY0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1S,2S)-1-amino-1,2-dihydroxypropan-1-olate
Systematic Name (OpenEye OEToolkits)	(1S,2S)-1-amino-1,2-dihydroxy-propan-1-olate
Formula	C₃ H₈ N O₃
Molecular Weight	106.101
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]C(O)(N)C(O)C
SMILES	CACTVS	3.352	C[CH](O)[C](N)(O)[O-]
SMILES	OpenEye OEToolkits	1.6.1	CC(C(N)(O)[O-])O
Canonical SMILES	CACTVS	3.352	C[C@H](O)[C@@](N)(O)[O-]
Canonical SMILES	OpenEye OEToolkits	1.6.1	C[C@@H]([C@@](N)(O)[O-])O
InChI	InChI	1.03	InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1
InChIKey	InChI	1.03	ISJWJWXATCJUBY-STHAYSLISA-N

Related Resource References

Resource Name	Reference
PubChem	49867548

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.