Chemical Components in the PDB

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MHO : Summary

Code

MHO

One-letter code

M

Molecule name

S-OXYMETHIONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-[(S)-methylsulfinyl]butanoic acid

Formula

C5 H11 N O3 S

Formal charge

0

Molecular weight

165.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCS(=O)C
SMILES CACTVS 3.385 C[S](=O)CC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.5 CS(=O)CCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 C[S@](=O)CC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.5 C[S@](=O)CC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10-/m0/s1

IUPAC InChI key

QEFRNWWLZKMPFJ-MFXDVPHUSA-N
MHO

wwPDB Information

Atom count

21 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

MET

Defined at

1999-07-08

Last modified at

2012-01-05

Status

Released

Obsoleted

Not Assigned