Chemical Components in the PDB

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F23 : Summary

Code

F23

One-letter code

X

Molecule name

TRICOSANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 tricosanoic acid
OpenEye OEToolkits 1.5.0 tricosanoic acid

Formula

C23 H46 O2

Formal charge

0

Molecular weight

354.61 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCCCCCCCCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)

IUPAC InChI key

XEZVDURJDFGERA-UHFFFAOYSA-N
F23

wwPDB Information

Atom count

71 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-04-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned