Chemical Components in the PDB

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Y69 : Summary

Code

Y69

One-letter code

X

Molecule name

11-[2-(2-ethoxyethoxy)ethoxy]undecanal

Systematic names

ProgramVersionName
ACDLabs 12.01 11-[2-(2-ethoxyethoxy)ethoxy]undecanal
OpenEye OEToolkits 1.9.2 11-[2-(2-ethoxyethoxy)ethoxy]undecanal

Formula

C17 H34 O4

Formal charge

0

Molecular weight

302.449 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=CCCCCCCCCCCOCCOCCOCC
SMILES CACTVS 3.385 CCOCCOCCOCCCCCCCCCCC=O
SMILES OpenEye OEToolkits 1.9.2 CCOCCOCCOCCCCCCCCCCC=O
Canonical SMILES CACTVS 3.385 CCOCCOCCOCCCCCCCCCCC=O
Canonical SMILES OpenEye OEToolkits 1.9.2 CCOCCOCCOCCCCCCCCCCC=O

IUPAC InChI

InChI=1S/C17H34O4/c1-2-19-14-15-21-17-16-20-13-11-9-7-5-3-4-6-8-10-12-18/h12H,2-11,13-17H2,1H3

IUPAC InChI key

FUVMRIQNBOWRMW-UHFFFAOYSA-N
Y69

wwPDB Information

Atom count

55 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-05-06

Last modified at

2014-12-19

Status

Released

Obsoleted

Not Assigned