Chemical Components in the PDB

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S8V : Summary

Code

S8V

One-letter code

X

Molecule name

~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine

Formula

C8 H15 N O

Formal charge

0

Molecular weight

141.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C1C[CH](CNC2CC2)CO1
SMILES OpenEye OEToolkits 2.0.6 C1CC1NCC2CCOC2
Canonical SMILES CACTVS 3.385 C1C[C@@H](CNC2CC2)CO1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1COC[C@@H]1CNC2CC2

IUPAC InChI

InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1

IUPAC InChI key

XTBAPHZUOIOBDQ-ZETCQYMHSA-N
S8V

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-05

Last modified at

2020-04-17

Status

Released

Obsoleted

Not Assigned