Chemical Components in the PDB

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FQZ : Summary

Code

FQZ

One-letter code

X

Molecule name

(1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid

Formula

C8 H14 O4

Formal charge

0

Molecular weight

174.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 CC1CC(CC(C1O)O)C(=O)O
Canonical SMILES CACTVS 3.385 C[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@H]1C[C@H](C[C@H]([C@@H]1O)O)C(=O)O

IUPAC InChI

InChI=1S/C8H14O4/c1-4-2-5(8(11)12)3-6(9)7(4)10/h4-7,9-10H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,7+/m0/s1

IUPAC InChI key

OBDLOCPYNMEWCH-BDVNFPICSA-N
FQZ

wwPDB Information

Atom count

26 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-25

Last modified at

2019-09-01

Status

Released

Obsoleted

Not Assigned