Chemical Components in the PDB

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AME : Summary

Code

AME

One-letter code

M

Molecule name

N-ACETYLMETHIONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-acetyl-L-methionine
OpenEye OEToolkits 1.5.0 (2S)-2-acetamido-4-methylsulfanyl-butanoic acid

Formula

C7 H13 N O3 S

Formal charge

0

Molecular weight

191.248 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1

IUPAC InChI key

XUYPXLNMDZIRQH-LURJTMIESA-N
AME

wwPDB Information

Atom count

25 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

L-peptide NH3 amino terminus

Type code

HETAIN

Is modified

Yes

Standard parent

MET

Defined at

2000-05-11

Last modified at

2020-07-15

Status

Released

Obsoleted

Not Assigned