Chemical Components in the PDB

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EIC : Summary

Code

EIC

One-letter code

X

Molecule name

LINOLEIC ACID

Synonyms

9,12-LINOLEIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (9Z,12Z)-octadeca-9,12-dienoic acid
OpenEye OEToolkits 1.5.0 (9Z,12Z)-octadeca-9,12-dienoic acid

Formula

C18 H32 O2

Formal charge

0

Molecular weight

280.445 Da

SMILES

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

IUPAC InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-

IUPAC InChI key

OYHQOLUKZRVURQ-HZJYTTRNSA-N
EIC

wwPDB Information

Atom count

52 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-04-20

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned