Chemical Components in the PDB

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ZEU : Summary

Code

ZEU

One-letter code

X

Molecule name

9-hydroxynonanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 9-hydroxynonanoic acid
OpenEye OEToolkits 1.7.6 9-oxidanylnonanoic acid

Formula

C9 H18 O3

Formal charge

0

Molecular weight

174.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCCCCCCCO
SMILES CACTVS 3.370 OCCCCCCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(CCCCO)CCCC(=O)O
Canonical SMILES CACTVS 3.370 OCCCCCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(CCCCO)CCCC(=O)O

IUPAC InChI

InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)

IUPAC InChI key

AFZMICRBFKZNIH-UHFFFAOYSA-N
ZEU

wwPDB Information

Atom count

30 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-12-18

Last modified at

2019-06-14

Status

Released

Obsoleted

Not Assigned