Chemical Components in the PDB

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MPH : Summary

Code

MPH

One-letter code

X

Molecule name

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

Synonyms

METHIONINE PHOSPHONATE

Systematic names

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

Formula

C4 H12 N O3 P S

Formal charge

0

Molecular weight

185.182 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1

IUPAC InChI key

XKCSXHUCPYVQIW-SCSAIBSYSA-N
MPH

wwPDB Information

Atom count

22 (10 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