Chemical Components in the PDB

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14V : Summary

Code

14V

One-letter code

X

Molecule name

3,5-dioxoicosanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 3,5-dioxoicosanoic acid
OpenEye OEToolkits 1.7.2 3,5-bis(oxidanylidene)icosanoic acid

Formula

C20 H36 O4

Formal charge

0

Molecular weight

340.497 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(CC(=O)CC(=O)O)CCCCCCCCCCCCCCC
SMILES CACTVS 3.370 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O
SMILES OpenEye OEToolkits 1.7.2 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O
Canonical SMILES CACTVS 3.370 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O

IUPAC InChI

InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20(23)24/h2-17H2,1H3,(H,23,24)

IUPAC InChI key

DAKTXSDZCYKITO-UHFFFAOYSA-N
14V

wwPDB Information

Atom count

60 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-28

Last modified at

2013-04-19

Status

Released

Obsoleted

Not Assigned