Chemical Components in the PDB

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ONZ : Summary

Code

ONZ

One-letter code

X

Molecule name

2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(1,3-benzodioxol-4-ylcarbonyl)glycine
OpenEye OEToolkits 1.9.2 2-(1,3-benzodioxol-4-ylcarbonylamino)ethanoic acid

Formula

C10 H9 N O5

Formal charge

0

Molecular weight

223.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CNC(=O)c1cccc2OCOc12
SMILES CACTVS 3.385 OC(=O)CNC(=O)c1cccc2OCOc12
SMILES OpenEye OEToolkits 1.9.2 c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O
Canonical SMILES CACTVS 3.385 OC(=O)CNC(=O)c1cccc2OCOc12
Canonical SMILES OpenEye OEToolkits 1.9.2 c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O

IUPAC InChI

InChI=1S/C10H9NO5/c12-8(13)4-11-10(14)6-2-1-3-7-9(6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)

IUPAC InChI key

YDSBLSGGADRARS-UHFFFAOYSA-N
ONZ

wwPDB Information

Atom count

25 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-12-04

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned