Chemical Components in the PDB

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PTO : Summary

Code

PTO

One-letter code

X

Molecule name

PSEUDOTROPINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
OpenEye OEToolkits 1.5.0 (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

Formula

C8 H15 N O

Formal charge

0

Molecular weight

141.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC2CC1N(C)C(CC1)C2
SMILES CACTVS 3.341 CN1[CH]2CC[CH]1CC(O)C2
SMILES OpenEye OEToolkits 1.5.0 CN1C2CCC1CC(C2)O
Canonical SMILES CACTVS 3.341 CN1[C@H]2CC[C@@H]1CC(O)C2
Canonical SMILES OpenEye OEToolkits 1.5.0 CN1[C@H]2CC[C@@H]1CC(C2)O

IUPAC InChI

InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-

IUPAC InChI key

CYHOMWAPJJPNMW-RNLVFQAGSA-N
PTO

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

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned