Chemical Components in the PDB

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RGI : Summary

Code

RGI

One-letter code

X

Molecule name

METHYLCARBAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 methylcarbamic acid
OpenEye OEToolkits 1.7.0 methylcarbamic acid

Formula

C2 H5 N O2

Formal charge

0

Molecular weight

75.067 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)NC
SMILES CACTVS 3.370 CNC(O)=O
SMILES OpenEye OEToolkits 1.7.0 CNC(=O)O
Canonical SMILES CACTVS 3.370 CNC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CNC(=O)O

IUPAC InChI

InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)

IUPAC InChI key

UFEJKYYYVXYMMS-UHFFFAOYSA-N
RGI

wwPDB Information

Atom count

10 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

PEPTIDE-LIKE

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-06-19

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned