Chemical Components in the PDB

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G4O : Summary

Code

G4O

One-letter code

X

Molecule name

propan-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 propan-2-amine

Formula

C3 H9 N

Formal charge

0

Molecular weight

59.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)N
SMILES OpenEye OEToolkits 2.0.7 CC(C)N
Canonical SMILES CACTVS 3.385 CC(C)N
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)N

IUPAC InChI

InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3

IUPAC InChI key

JJWLVOIRVHMVIS-UHFFFAOYSA-N
G4O

wwPDB Information

Atom count

13 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-07-21

Last modified at

2021-09-10

Status

Released

Obsoleted

Not Assigned