Chemical Components in the PDB

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MZT : Summary

Code

MZT

One-letter code

X

Molecule name

4-(Trimethylammonio)pentanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-4-carboxy-N,N,N-trimethylbutan-2-aminium
OpenEye OEToolkits 1.9.2 trimethyl-[(2R)-5-oxidanyl-5-oxidanylidene-pentan-2-yl]azanium

Formula

C8 H18 N O2

Formal charge

1

Molecular weight

160.234 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CCC([N+](C)(C)C)C
SMILES CACTVS 3.385 C[CH](CCC(O)=O)[N+](C)(C)C
SMILES OpenEye OEToolkits 1.9.2 CC(CCC(=O)O)[N+](C)(C)C
Canonical SMILES CACTVS 3.385 C[C@H](CCC(O)=O)[N+](C)(C)C
Canonical SMILES OpenEye OEToolkits 1.9.2 C[C@H](CCC(=O)O)[N+](C)(C)C

IUPAC InChI

InChI=1S/C8H17NO2/c1-7(9(2,3)4)5-6-8(10)11/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1

IUPAC InChI key

RXHVPPWXTMHWGY-SSDOTTSWSA-O
MZT

wwPDB Information

Atom count

29 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-04-02

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned