Chemical Components in the PDB

pdbe.org/chem
spacer

5UF : Summary

Code

5UF

One-letter code

X

Molecule name

(3~{S})-3-oxidanyldecanoic acid

Synonyms

Myrmicacin
3-hydroxydecanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (3~{S})-3-oxidanyldecanoic acid

Formula

C10 H20 O3

Formal charge

0

Molecular weight

188.264 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCC[CH](O)CC(O)=O
SMILES OpenEye OEToolkits 2.0.4 CCCCCCCC(CC(=O)O)O
Canonical SMILES CACTVS 3.385 CCCCCCC[C@H](O)CC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 CCCCCCC[C@@H](CC(=O)O)O

IUPAC InChI

InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1

IUPAC InChI key

FYSSBMZUBSBFJL-VIFPVBQESA-N
5UF

wwPDB Information

Atom count

33 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-02

Last modified at

2020-05-26

Status

Released

Obsoleted

Not Assigned