Chemical Components in the PDB

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D3P : Summary

Code

D3P

One-letter code

G

Molecule name

(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-amino(3,5-dihydroxyphenyl)ethanoic acid
OpenEye OEToolkits 1.5.0 (2R)-2-amino-2-(3,5-dihydroxyphenyl)ethanoic acid

Formula

C8 H9 N O4

Formal charge

0

Molecular weight

183.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(c1cc(O)cc(O)c1)N
SMILES CACTVS 3.341 N[CH](C(O)=O)c1cc(O)cc(O)c1
SMILES OpenEye OEToolkits 1.5.0 c1c(cc(cc1O)O)C(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](C(O)=O)c1cc(O)cc(O)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 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-/m1/s1

IUPAC InChI key

HOOWCUZPEFNHDT-SSDOTTSWSA-N
D3P

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLY

Defined at

2004-09-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned