Chemical Components in the PDB

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LXO : Summary

Code

LXO

One-letter code

X

Molecule name

4-(pyridin-4-ylamino)butanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-(pyridin-4-ylamino)butanoic acid

Formula

C9 H12 N2 O2

Formal charge

0

Molecular weight

180.204 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)CCCNc1ccncc1
SMILES OpenEye OEToolkits 2.0.7 c1cnccc1NCCCC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCCNc1ccncc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cnccc1NCCCC(=O)O

IUPAC InChI

InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13)

IUPAC InChI key

HPDCDJWQNLPXFS-UHFFFAOYSA-N
LXO

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-12-16

Last modified at

2023-12-08

Status

Released

Obsoleted

Not Assigned