Chemical Components in the PDB

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DAO : Summary

Code

DAO

One-letter code

X

Molecule name

LAURIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 dodecanoic acid
OpenEye OEToolkits 1.5.0 dodecanoic acid

Formula

C12 H24 O2

Formal charge

0

Molecular weight

200.318 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.341 CCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

IUPAC InChI key

POULHZVOKOAJMA-UHFFFAOYSA-N
DAO

wwPDB Information

Atom count

38 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned