Chemical Components in the PDB

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F3V : Summary

Code

F3V

One-letter code

X

Molecule name

1-aminopropan-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-aminopropan-2-one
OpenEye OEToolkits 2.0.6 1-azanylpropan-2-one

Formula

C3 H7 N O

Formal charge

0

Molecular weight

73.094 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCC(=O)C
SMILES CACTVS 3.385 CC(=O)CN
SMILES OpenEye OEToolkits 2.0.6 CC(=O)CN
Canonical SMILES CACTVS 3.385 CC(=O)CN
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)CN

IUPAC InChI

InChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3

IUPAC InChI key

BCDGQXUMWHRQCB-UHFFFAOYSA-N
F3V

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

2018-02-26

Last modified at

2018-05-25

Status

Released

Obsoleted

Not Assigned