Chemical Components in the PDB

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F2X : Summary

Code

F2X

One-letter code

X

Molecule name

(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione

Formula

C11 H10 O3

Formal charge

0

Molecular weight

190.195 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH]1CC(=O)c2c(O)cccc2C1=O
SMILES OpenEye OEToolkits 2.0.7 CC1CC(=O)c2c(cccc2O)C1=O
Canonical SMILES CACTVS 3.385 C[C@@H]1CC(=O)c2c(O)cccc2C1=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H]1CC(=O)c2c(cccc2O)C1=O

IUPAC InChI

InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1

IUPAC InChI key

ALPCEXCHMFUSAN-ZCFIWIBFSA-N
F2X

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-18

Last modified at

2020-07-24

Status

Released

Obsoleted

Not Assigned