Chemical Components in the PDB

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F15 : Summary

Code

F15

One-letter code

X

Molecule name

PENTADECANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 pentadecanoic acid
OpenEye OEToolkits 1.5.0 pentadecanoic acid

Formula

C15 H30 O2

Formal charge

0

Molecular weight

242.397 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

IUPAC InChI key

WQEPLUUGTLDZJY-UHFFFAOYSA-N
F15

wwPDB Information

Atom count

47 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-11-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned