Chemical Components in the PDB

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2ZO : Summary

Code

2ZO

One-letter code

X

Molecule name

N,N,N-trimethyl-4-oxobutan-1-aminium

Synonyms

4-N-trimethylaminobutyraldehyde

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N,N-trimethyl-4-oxobutan-1-aminium
OpenEye OEToolkits 1.7.6 trimethyl(4-oxidanylidenebutyl)azanium

Formula

C7 H16 N O

Formal charge

1

Molecular weight

130.208 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=CCCC[N+](C)(C)C
SMILES CACTVS 3.385 C[N+](C)(C)CCCC=O
SMILES OpenEye OEToolkits 1.7.6 C[N+](C)(C)CCCC=O
Canonical SMILES CACTVS 3.385 C[N+](C)(C)CCCC=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[N+](C)(C)CCCC=O

IUPAC InChI

InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1

IUPAC InChI key

OITBLCDWXSXNCN-UHFFFAOYSA-N
2ZO

wwPDB Information

Atom count

25 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-05-01

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned