Chemical Components in the PDB

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DAH : Summary

Code

DAH

One-letter code

F

Molecule name

3,4-DIHYDROXYPHENYLALANINE

Synonyms

L-DOPA

Systematic names

ProgramVersionName
ACDLabs 12.01 3-hydroxy-L-tyrosine
OpenEye OEToolkits 1.7.2 (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid

Formula

C9 H11 N O4

Formal charge

0

Molecular weight

197.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)Cc1cc(O)c(O)cc1
SMILES CACTVS 3.370 N[CH](Cc1ccc(O)c(O)c1)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 c1cc(c(cc1CC(C(=O)O)N)O)O
Canonical SMILES CACTVS 3.370 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O

IUPAC InChI

InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1

IUPAC InChI key

WTDRDQBEARUVNC-LURJTMIESA-N
DAH

wwPDB Information

Atom count

25 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PHE

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned