Chemical Components in the PDB

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FE0 : Summary

Code

FE0

One-letter code

X

Molecule name

(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (1~{S},2~{S},3~{R},4~{R})-3-(hydroxymethyl)cyclopentane-1,2,4-triol

Formula

C6 H12 O4

Formal charge

0

Molecular weight

148.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH]1[CH](O)C[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 C1C(C(C(C1O)O)CO)O
Canonical SMILES CACTVS 3.385 OC[C@@H]1[C@H](O)C[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O

IUPAC InChI

InChI=1S/C6H12O4/c7-2-3-4(8)1-5(9)6(3)10/h3-10H,1-2H2/t3-,4-,5+,6+/m1/s1

IUPAC InChI key

KWAKQXVHPAXYRX-ZXXMMSQZSA-N
FE0

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-03

Last modified at

2021-01-22

Status

Released

Obsoleted

Not Assigned