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AOA : Summary

Code

AOA

One-letter code

X

Molecule name

(AMINOOXY)ACETIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (aminooxy)acetic acid
OpenEye OEToolkits 1.5.0 2-aminooxyethanoic acid

Formula

C2 H5 N O3

Formal charge

0

Molecular weight

91.066 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CON
SMILES CACTVS 3.341 NOCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)ON
Canonical SMILES CACTVS 3.341 NOCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)ON

IUPAC InChI

InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)

IUPAC InChI key

NQRKYASMKDDGHT-UHFFFAOYSA-N
AOA

wwPDB Information

Atom count

11 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-06-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned