Chemical Components in the PDB

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LNR : Summary

Code

LNR

One-letter code

X

Molecule name

L-NOREPINEPHRINE

Synonyms

NORADRENALINE

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
OpenEye OEToolkits 1.7.6 4-[(1R)-2-azanyl-1-oxidanyl-ethyl]benzene-1,2-diol

Formula

C8 H11 N O3

Formal charge

0

Molecular weight

169.178 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Oc1ccc(cc1O)C(O)CN
SMILES CACTVS 3.370 NC[CH](O)c1ccc(O)c(O)c1
SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1C(CN)O)O)O
Canonical SMILES CACTVS 3.370 NC[C@H](O)c1ccc(O)c(O)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1[C@H](CN)O)O)O

IUPAC InChI

InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1

IUPAC InChI key

SFLSHLFXELFNJZ-QMMMGPOBSA-N
LNR

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-03-28

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned