Chemical Components in the PDB

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NON : Summary

Code

NON

One-letter code

X

Molecule name

METHYL NONANOATE (ESTER)

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl nonanoate
OpenEye OEToolkits 1.5.0 methyl nonanoate

Formula

C10 H20 O2

Formal charge

0

Molecular weight

172.265 Da

SMILES

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

IUPAC InChI

InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3

IUPAC InChI key

IJXHLVMUNBOGRR-UHFFFAOYSA-N
NON

wwPDB Information

Atom count

32 (12 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