Chemical Components in the PDB

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FT5 : Summary

Code

FT5

One-letter code

X

Molecule name

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

Systematic names

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

Formula

C7 H12 O5

Formal charge

0

Molecular weight

176.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C1C(CC(C(C1O)O)O)C(=O)O
Canonical SMILES CACTVS 3.385 O[C@H]1C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@H](C(C(CC1C(=O)O)O)O)O

IUPAC InChI

InChI=1S/C7H12O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h3-6,8-10H,1-2H2,(H,11,12)/t3-,4+,5-,6-

IUPAC InChI key

SOWVWGZSLABJMC-HMWJNGDSSA-N
FT5

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

2018-07-25

Last modified at

2019-09-04

Status

Released

Obsoleted

Not Assigned