Chemical Components in the PDB

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8PN : Summary

Code

8PN

One-letter code

X

Molecule name

(2S)-but-3-yn-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-but-3-yn-2-amine

Formula

C4 H7 N

Formal charge

0

Molecular weight

69.105 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](N)C#C
SMILES OpenEye OEToolkits 2.0.7 CC(C#C)N
Canonical SMILES CACTVS 3.385 C[C@H](N)C#C
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H](C#C)N

IUPAC InChI

InChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3/t4-/m0/s1

IUPAC InChI key

ZZRMYOZQUCUWFT-BYPYZUCNSA-N
8PN

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

2021-10-28

Last modified at

2022-11-18

Status

Released

Obsoleted

Not Assigned