Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

AXM : Summary

Code

AXM

One-letter code

X

Molecule name

N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
OpenEye OEToolkits 1.7.6 2-(1-adamantyl)-N-oxidanyl-ethanamide

Formula

C12 H19 N O2

Formal charge

0

Molecular weight

209.285 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NO)CC13CC2CC(CC(C1)C2)C3
SMILES CACTVS 3.370 ONC(=O)CC12CC3CC(CC(C3)C1)C2
SMILES OpenEye OEToolkits 1.7.6 C1C2CC3CC1CC(C2)(C3)CC(=O)NO
Canonical SMILES CACTVS 3.370 ONC(=O)CC12CC3CC(CC(C3)C1)C2
Canonical SMILES OpenEye OEToolkits 1.7.6 C1C2CC3CC1CC(C2)(C3)CC(=O)NO

IUPAC InChI

InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)/t8-,9+,10-,12-

IUPAC InChI key

JKZCKUGJZBWOQO-GOCCLTDMSA-N
AXM

wwPDB Information

Atom count

34 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-05

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned