Chemical Components in the PDB

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O8N : Summary

Code

O8N

One-letter code

X

Molecule name

octacosan-1-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 octacosan-1-ol

Formula

C28 H58 O

Formal charge

0

Molecular weight

410.76 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Canonical SMILES CACTVS 3.385 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCCCCCCCCCCCCCCCCCCCCCCCCO

IUPAC InChI

InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3

IUPAC InChI key

CNNRPFQICPFDPO-UHFFFAOYSA-N
O8N

wwPDB Information

Atom count

87 (29 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-14

Last modified at

2017-06-30

Status

Released

Obsoleted

Not Assigned