Chemical Components in the PDB

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6LR : Summary

Code

6LR

One-letter code

X

Molecule name

morpholine

Systematic names

ProgramVersionName
ACDLabs 12.01 morpholine
OpenEye OEToolkits 2.0.4 morpholine

Formula

C4 H9 N O

Formal charge

0

Molecular weight

87.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1CCOCC1
SMILES CACTVS 3.385 C1COCCN1
SMILES OpenEye OEToolkits 2.0.4 C1COCCN1
Canonical SMILES CACTVS 3.385 C1COCCN1
Canonical SMILES OpenEye OEToolkits 2.0.4 C1COCCN1

IUPAC InChI

InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2

IUPAC InChI key

YNAVUWVOSKDBBP-UHFFFAOYSA-N
6LR

wwPDB Information

Atom count

15 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-03

Last modified at

2016-08-18

Status

Released

Obsoleted

Not Assigned