Chemical Components in the PDB

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6HY : Summary

Code

6HY

One-letter code

X

Molecule name

4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 4-oxidanylidene-4-(6-oxidanylidene-1~{H}-pyridin-3-yl)butanoic acid

Formula

C9 H9 N O4

Formal charge

0

Molecular weight

195.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)CCC(=O)C1=CNC(=O)C=C1
SMILES OpenEye OEToolkits 2.0.4 C1=CC(=O)NC=C1C(=O)CCC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CCC(=O)C1=CNC(=O)C=C1
Canonical SMILES OpenEye OEToolkits 2.0.4 C1=CC(=O)NC=C1C(=O)CCC(=O)O

IUPAC InChI

InChI=1S/C9H9NO4/c11-7(2-4-9(13)14)6-1-3-8(12)10-5-6/h1,3,5H,2,4H2,(H,10,12)(H,13,14)

IUPAC InChI key

OMAJIMAYOJBLJF-UHFFFAOYSA-N
6HY

wwPDB Information

Atom count

23 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-24

Last modified at

2016-12-16

Status

Released

Obsoleted

Not Assigned