Chemical Components in the PDB

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OHO : Summary

Code

OHO

One-letter code

X

Molecule name

CYCLOHEXANE AMINOCARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 cyclohexylcarbamic acid
OpenEye OEToolkits 1.5.0 cyclohexylcarbamic acid

Formula

C7 H13 N O2

Formal charge

0

Molecular weight

143.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)NC1CCCCC1
SMILES CACTVS 3.341 OC(=O)NC1CCCCC1
SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)NC(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)NC1CCCCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)NC(=O)O

IUPAC InChI

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

IUPAC InChI key

OQQXGCLLMDQESN-UHFFFAOYSA-N
OHO

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

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned