Chemical Components in the PDB

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09U : Summary

Code

09U

One-letter code

X

Molecule name

(methoxymethyl)cyclopropane

Systematic names

ProgramVersionName
ACDLabs 12.01 (methoxymethyl)cyclopropane
OpenEye OEToolkits 1.7.6 methoxymethylcyclopropane

Formula

C5 H10 O

Formal charge

0

Molecular weight

86.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 cyclopropylmethyl methyl ether
SMILES CACTVS 3.370 COCC1CC1
SMILES OpenEye OEToolkits 1.7.6 COCC1CC1
Canonical SMILES CACTVS 3.370 COCC1CC1
Canonical SMILES OpenEye OEToolkits 1.7.6 COCC1CC1

IUPAC InChI

InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3

IUPAC InChI key

XZUHEKNCBBQEBT-UHFFFAOYSA-N
09U

wwPDB Information

Atom count

16 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-11-15

Last modified at

2012-12-07

Status

Released

Obsoleted

Not Assigned