Chemical Components in the PDB

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NME : Summary

Code

NME

One-letter code

X

Molecule name

METHYLAMINE

Systematic names

ProgramVersionName
ACDLabs 12.01 methanamine
OpenEye OEToolkits 1.7.0 methanamine

Formula

C H5 N

Formal charge

0

Molecular weight

31.057 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC
SMILES CACTVS 3.370 CN
SMILES OpenEye OEToolkits 1.7.0 CN
Canonical SMILES CACTVS 3.370 CN
Canonical SMILES OpenEye OEToolkits 1.7.0 CN

IUPAC InChI

InChI=1S/CH5N/c1-2/h2H2,1H3

IUPAC InChI key

BAVYZALUXZFZLV-UHFFFAOYSA-N

Is part of

2Z3
NME

wwPDB Information

Atom count

7 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned