Chemical Components in the PDB

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3MM : Summary

Code

3MM

One-letter code

X

Molecule name

(1R)-1-CARBOXY-N,N,N-TRIMETHYL-3-(METHYLSULFANYL)PROPAN-1-AMINIUM

Synonyms

N,N,N-TRIMETHYL-L-METHIONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium
OpenEye OEToolkits 1.5.0 [(2R)-1-hydroxy-4-methylsulfanyl-1-oxo-butan-2-yl]-trimethyl-azanium

Formula

C8 H18 N O2 S

Formal charge

1

Molecular weight

192.299 Da

SMILES

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

IUPAC InChI

InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m1/s1

IUPAC InChI key

LIOVZIQCHLSVBO-SSDOTTSWSA-O
3MM

wwPDB Information

Atom count

30 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

D-PEPTIDE NH3 AMINO TERMINUS

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2008-03-17

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned