Chemical Components in the PDB

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MEB : Summary

Code

MEB

One-letter code

X

Molecule name

2-methylprop-1-ene

Systematic names

ProgramVersionName
ACDLabs 12.01 2-methylprop-1-ene
OpenEye OEToolkits 1.7.2 2-methylprop-1-ene

Formula

C4 H8

Formal charge

0

Molecular weight

56.106 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C=C(\C)C
SMILES CACTVS 3.370 CC(C)=C
SMILES OpenEye OEToolkits 1.7.2 CC(=C)C
Canonical SMILES CACTVS 3.370 CC(C)=C
Canonical SMILES OpenEye OEToolkits 1.7.2 CC(=C)C

IUPAC InChI

InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3

IUPAC InChI key

VQTUBCCKSQIDNK-UHFFFAOYSA-N
MEB

wwPDB Information

Atom count

12 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-09-28

Status

Released

Obsoleted

Not Assigned