FLA

TRIFLUOROALANINE

Created:	1999-07-19
Last modified:	2024-09-27

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1 entries where FLA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	1
Bond Count	12
Aromatic Bond Count	0

2D diagram of FLA

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Chemical Component Summary
Name	TRIFLUOROALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3,3,3-trifluoro-propanoic acid
Formula	C₃ H₄ F₃ N O₂
Molecular Weight	143.065
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	FC(F)(F)C(N)C(=O)O
SMILES	CACTVS	3.341	N[CH](C(O)=O)C(F)(F)F
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)O)(C(F)(F)F)N
Canonical SMILES	CACTVS	3.341	N[C@@H](C(O)=O)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.5.0	[C@H](C(=O)O)(C(F)(F)F)N
InChI	InChI	1.03	InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)/t1-/m0/s1
InChIKey	InChI	1.03	HMJQKIDUCWWIBW-SFOWXEAESA-N

Drug Info: DrugBank

DrugBank ID	DB03794
Name	Trifluoroalanine
Groups	experimental
Synonyms	Trifluoroalanine

Related Resource References

Resource Name	Reference
PubChem	87123, 7006471

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.