3FG

(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid

Created:	2009-03-27
Last modified:	2024-09-27

Find Related PDB Entry
40 entries where 3FG 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	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of 3FG

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-2-(3,5-dihydroxyphenyl)ethanoic acid
Formula	C₈ H₉ N O₄
Molecular Weight	183.161
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(c1cc(O)cc(O)c1)N
SMILES	CACTVS	3.370	N[CH](C(O)=O)c1cc(O)cc(O)c1
SMILES	OpenEye OEToolkits	1.7.0	c1c(cc(cc1O)O)C(C(=O)O)N
Canonical SMILES	CACTVS	3.370	N[C@H](C(O)=O)c1cc(O)cc(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1c(cc(cc1O)O)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
InChIKey	InChI	1.03	HOOWCUZPEFNHDT-ZETCQYMHSA-N

Drug Info: DrugBank

DrugBank ID	DB04228
Name	Dihydroxyphenylglycine
Groups	experimental
Synonyms	L-3,5-Dihydroxyphenylglycine S-DHPG DHPG (S)-3,5-dihydroxyphenylglycine Dihydroxyphenylglycine 3,5-Dihydroxy-L-phenylglycine
Categories	Alcohols Ethylene Glycols Glycols
CAS number	162870-29-3

Related Resource References

Resource Name	Reference
PubChem	71668376, 443586
ChEMBL	CHEMBL39221
ChEBI	CHEBI:29474, CHEBI:75204

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.