Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

FDK : Summary

Code

FDK

One-letter code

X

Molecule name

(1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol

Formula

C7 H12 O5

Formal charge

0

Molecular weight

176.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C1=C(C(C(C(C1O)O)O)O)CO
Canonical SMILES CACTVS 3.385 OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO

IUPAC InChI

InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5-,6-,7-/m0/s1

IUPAC InChI key

PJPGMULJEYSZBS-AXMZGBSTSA-N
FDK

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-06-21

Last modified at

2018-08-17

Status

Released

Obsoleted

Not Assigned