Chemical Components in the PDB

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04G : Summary

Code

04G

One-letter code

X

Molecule name

7-hydroxy-3H-phenoxazin-3-one

Systematic names

ProgramVersionName
ACDLabs 12.01 7-hydroxy-3H-phenoxazin-3-one
OpenEye OEToolkits 1.7.2 7-oxidanylphenoxazin-3-one

Formula

C12 H7 N O3

Formal charge

0

Molecular weight

213.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2C=CC1=Nc3c(OC1=C2)cc(O)cc3
SMILES CACTVS 3.370 Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1
SMILES OpenEye OEToolkits 1.7.2 c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2
Canonical SMILES CACTVS 3.370 Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1
Canonical SMILES OpenEye OEToolkits 1.7.2 c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2

IUPAC InChI

InChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H

IUPAC InChI key

HSSLDCABUXLXKM-UHFFFAOYSA-N
04G

wwPDB Information

Atom count

23 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-10-19

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned