Chemical Components in the PDB

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OLA : Summary

Code

OLA

One-letter code

X

Molecule name

OLEIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (9Z)-octadec-9-enoic acid
OpenEye OEToolkits 1.5.0 (Z)-octadec-9-enoic acid

Formula

C18 H34 O2

Formal charge

0

Molecular weight

282.461 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCCCC\C=C/CCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCC=CCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCC=CCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.341 CCCCCCCC\C=C/CCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCC\C=C/CCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-

IUPAC InChI key

ZQPPMHVWECSIRJ-KTKRTIGZSA-N
OLA

wwPDB Information

Atom count

54 (20 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