Chemical Components in the PDB

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7PO : Summary

Code

7PO

One-letter code

X

Molecule name

hexacosanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 hexacosanoic acid

Formula

C26 H52 O2

Formal charge

0

Molecular weight

396.69 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

IUPAC InChI

InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)

IUPAC InChI key

XMHIUKTWLZUKEX-UHFFFAOYSA-N
7PO

wwPDB Information

Atom count

80 (28 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-22

Last modified at

2023-03-17

Status

Released

Obsoleted

Not Assigned