Chemical Components in the PDB

pdbe.org/chem
spacer

MYR : Summary

Code

MYR

One-letter code

X

Molecule name

MYRISTIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 tetradecanoic acid
OpenEye OEToolkits 1.7.6 tetradecanoic acid

Formula

C14 H28 O2

Formal charge

0

Molecular weight

228.371 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCCCCCCCCCCC
SMILES CACTVS 3.385 CCCCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 CCCCCCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CCCCCCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)

IUPAC InChI key

TUNFSRHWOTWDNC-UHFFFAOYSA-N
MYR

wwPDB Information

Atom count

44 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-07

Last modified at

2014-04-23

Status

Released

Obsoleted

Not Assigned