Chemical Components in the PDB

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ROP : Summary

Code

ROP

One-letter code

X

Molecule name

PROPIONAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 propanamide
OpenEye OEToolkits 1.5.0 propanamide

Formula

C3 H7 N O

Formal charge

0

Molecular weight

73.094 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)CC
SMILES CACTVS 3.341 CCC(N)=O
SMILES OpenEye OEToolkits 1.5.0 CCC(=O)N
Canonical SMILES CACTVS 3.341 CCC(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCC(=O)N

IUPAC InChI

InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)

IUPAC InChI key

QLNJFJADRCOGBJ-UHFFFAOYSA-N
ROP

wwPDB Information

Atom count

12 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-03-23

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned