Chemical Components in the PDB

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7UZ : Summary

Code

7UZ

One-letter code

X

Molecule name

2-(cyclohexylmethyl)propanedioic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (cyclohexylmethyl)propanedioic acid
OpenEye OEToolkits 1.7.6 2-(cyclohexylmethyl)propanedioic acid

Formula

C10 H16 O4

Formal charge

0

Molecular weight

200.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(C(=O)O)CC1CCCCC1
SMILES CACTVS 3.385 OC(=O)C(CC1CCCCC1)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1CCC(CC1)CC(C(=O)O)C(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)C(CC1CCCCC1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CCC(CC1)CC(C(=O)O)C(=O)O

IUPAC InChI

InChI=1S/C10H16O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)

IUPAC InChI key

PYKSXWASTAWCSS-UHFFFAOYSA-N
7UZ

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-09

Last modified at

2014-02-21

Status

Released

Obsoleted

Not Assigned