Chemical Components in the PDB

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3FG : Summary

Code

3FG

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-amino(3,5-dihydroxyphenyl)ethanoic acid
OpenEye OEToolkits 1.7.0 (2S)-2-azanyl-2-(3,5-dihydroxyphenyl)ethanoic acid

Formula

C8 H9 N O4

Formal charge

0

Molecular weight

183.161 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

HOOWCUZPEFNHDT-ZETCQYMHSA-N
3FG

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2009-03-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned