Chemical Components in the PDB

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CC4 : Summary

Code

CC4

One-letter code

X

Molecule name

2-(SELANYLMETHYL)PROP-2-ENOIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(selanylmethyl)prop-2-enoic acid
OpenEye OEToolkits 1.7.0 2-(selanylmethyl)prop-2-enoic acid

Formula

C4 H6 O2 Se

Formal charge

0

Molecular weight

165.049 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)\C(=C)C[SeH]
SMILES CACTVS 3.370 OC(=O)C(=C)C[SeH]
SMILES OpenEye OEToolkits 1.7.0 C=C(C[SeH])C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)C(=C)C[SeH]
Canonical SMILES OpenEye OEToolkits 1.7.0 C=C(C[SeH])C(=O)O

IUPAC InChI

InChI=1S/C4H6O2Se/c1-3(2-7)4(5)6/h7H,1-2H2,(H,5,6)

IUPAC InChI key

CHFUUCJSXSBSRN-UHFFFAOYSA-N

Is part of

SLC
CC4

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-03-22

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned