Chemical Components in the PDB

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MUX : Summary

Code

MUX

One-letter code

X

Molecule name

(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methyl-2-oxo-2H-chromen-7-yl hydrogen sulfate
OpenEye OEToolkits 1.9.2 (4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate

Formula

C10 H8 O6 S

Formal charge

0

Molecular weight

256.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(O)Oc2ccc1c(OC(=O)C=C1C)c2
SMILES CACTVS 3.385 CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12
SMILES OpenEye OEToolkits 1.9.2 CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O
Canonical SMILES CACTVS 3.385 CC1=CC(=O)Oc2cc(O[S](O)(=O)=O)ccc12
Canonical SMILES OpenEye OEToolkits 1.9.2 CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O

IUPAC InChI

InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)

IUPAC InChI key

FUYLLJCBCKRIAL-UHFFFAOYSA-N
MUX

wwPDB Information

Atom count

25 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-02-21

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned