Chemical Components in the PDB

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LDP : Summary

Code

LDP

One-letter code

X

Molecule name

L-DOPAMINE

Synonyms

DOPAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(2-aminoethyl)benzene-1,2-diol
OpenEye OEToolkits 1.5.0 4-(2-aminoethyl)benzene-1,2-diol

Formula

C8 H11 N O2

Formal charge

0

Molecular weight

153.178 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1ccc(cc1O)CCN
SMILES CACTVS 3.341 NCCc1ccc(O)c(O)c1
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1CCN)O)O
Canonical SMILES CACTVS 3.341 NCCc1ccc(O)c(O)c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1CCN)O)O

IUPAC InChI

InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

IUPAC InChI key

VYFYYTLLBUKUHU-UHFFFAOYSA-N
LDP

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned