Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

KVV : Summary

Code

KVV

One-letter code

X

Molecule name

N,N,N-trimethyl-2-phosphonoethan-1-aminium

Systematic names

ProgramVersionName
ACDLabs 12.01 N,N,N-trimethyl-2-phosphonoethan-1-aminium
OpenEye OEToolkits 2.0.6 trimethyl(2-phosphonoethyl)azanium

Formula

C5 H15 N O3 P

Formal charge

1

Molecular weight

168.151 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C([N+](C)(C)C)CP(O)(O)=O
SMILES CACTVS 3.385 C[N+](C)(C)CC[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.6 C[N+](C)(C)CCP(=O)(O)O
Canonical SMILES CACTVS 3.385 C[N+](C)(C)CC[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[N+](C)(C)CCP(=O)(O)O

IUPAC InChI

InChI=1S/C5H14NO3P/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1

IUPAC InChI key

VCANKBLUHKRQLL-UHFFFAOYSA-O
KVV

wwPDB Information

Atom count

25 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-01-18

Last modified at

2019-03-01

Status

Released

Obsoleted

Not Assigned