Chemical Components in the PDB

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MPJ : Summary

Code

MPJ

One-letter code

X

Molecule name

(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHINIC ACID

Synonyms

METHIONINE PHOSPHINATE

Systematic names

ProgramVersionName
ACDLabs 10.04 (R)-[(1R)-1-amino-3-(methylsulfanyl)propyl]phosphinic acid
OpenEye OEToolkits 1.5.0 [(1R)-1-amino-3-methylsulfanyl-propyl]phosphinic acid

Formula

C4 H12 N O2 P S

Formal charge

0

Molecular weight

169.182 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H12NO2PS/c1-9-3-2-4(5)8(6)7/h4,8H,2-3,5H2,1H3,(H,6,7)/t4-/m1/s1

IUPAC InChI key

CZRBNMUARBZMHQ-SCSAIBSYSA-N
MPJ

wwPDB Information

Atom count

21 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

1999-07-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned