QPA

S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine

Created:	2011-07-12
Last modified:	2024-09-27

Find Related PDB Entry
9 entries where QPA is found in a polymer sequence

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	29
Chiral Atom Count	2
Bond Count	28
Aromatic Bond Count	0

2D diagram of QPA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine
Systematic Name (OpenEye OEToolkits)	(2S)-2-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-phosphonooxy-propanoic acid
Formula	C₆ H₁₂ N O₈ P S
Molecular Weight	289.2
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(OP(=O)(O)O)(SCC(C(=O)O)N)C
SMILES	CACTVS	3.370	C[C](O[P](O)(O)=O)(SC[CH](N)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CC(C(=O)O)(OP(=O)(O)O)SCC(C(=O)O)N
Canonical SMILES	CACTVS	3.370	C[C@](O[P](O)(O)=O)(SC[C@H](N)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C[C@](C(=O)O)(OP(=O)(O)O)SC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H12NO8PS/c1-6(5(10)11,15-16(12,13)14)17-2-3(7)4(8)9/h3H,2,7H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,6-/m0/s1
InChIKey	InChI	1.03	SOTXSLHXKDYAQY-DZSWIPIPSA-N

Related Resource References

Resource Name	Reference
PubChem	137349914

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.