Chemical Components in the PDB

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ACD : Summary

Code

ACD

One-letter code

X

Molecule name

ARACHIDONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
OpenEye OEToolkits 1.5.0 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

Formula

C20 H32 O2

Formal charge

0

Molecular weight

304.467 Da

SMILES

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

IUPAC InChI

InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-

IUPAC InChI key

YZXBAPSDXZZRGB-DOFZRALJSA-N
ACD

wwPDB Information

Atom count

54 (22 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

2024-09-27

Status

Released

Obsoleted

Not Assigned