Chemical Components in the PDB

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CHG : Summary

Code

CHG

One-letter code

X

Molecule name

CYCLOHEXYL-GLYCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-amino(cyclohexyl)ethanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-2-cyclohexyl-ethanoic acid

Formula

C8 H15 N O2

Formal charge

0

Molecular weight

157.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)C1CCCCC1
SMILES CACTVS 3.341 N[CH](C1CCCCC1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)C(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](C1CCCCC1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1

IUPAC InChI key

WAMWSIDTKSNDCU-ZETCQYMHSA-N

Is part of

1BG , 1Y0 , 1YH , SV6
CHG

wwPDB Information

Atom count

26 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned