Chemical Components in the PDB

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F9P : Summary

Code

F9P

One-letter code

X

Molecule name

N-hydroxycyclohexanecarboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-hydroxycyclohexanecarboxamide
OpenEye OEToolkits 2.0.6 ~{N}-oxidanylcyclohexanecarboxamide

Formula

C7 H13 N O2

Formal charge

0

Molecular weight

143.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1CCCCC1C(NO)=O
SMILES CACTVS 3.385 ONC(=O)C1CCCCC1
SMILES OpenEye OEToolkits 2.0.6 C1CCC(CC1)C(=O)NO
Canonical SMILES CACTVS 3.385 ONC(=O)C1CCCCC1
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCC(CC1)C(=O)NO

IUPAC InChI

InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9)

IUPAC InChI key

RFWDAWXPYZTVSN-UHFFFAOYSA-N
F9P

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-22

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned