Chemical Components in the PDB

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PLU : Summary

Code

PLU

One-letter code

X

Molecule name

LEUCINE PHOSPHONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 [(1R)-1-amino-3-methylbutyl]phosphonic acid
OpenEye OEToolkits 1.5.0 [(1R)-1-amino-3-methyl-butyl]phosphonic acid

Formula

C5 H14 N O3 P

Formal charge

0

Molecular weight

167.143 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)C(N)CC(C)C
SMILES CACTVS 3.341 CC(C)C[CH](N)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C)CC(N)P(=O)(O)O
Canonical SMILES CACTVS 3.341 CC(C)C[C@H](N)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)C[C@H](N)P(=O)(O)O

IUPAC InChI

InChI=1S/C5H14NO3P/c1-4(2)3-5(6)10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)/t5-/m1/s1

IUPAC InChI key

HGCAUCAWEADMPM-RXMQYKEDSA-N
PLU

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned