Chemical Components in the PDB

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ESC : Summary

Code

ESC

One-letter code

M

Molecule name

2-AMINO-4-ETHYL SULFANYL BUTYRIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 S-ethyl-L-homocysteine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-ethylsulfanyl-butanoic acid

Formula

C6 H13 N O2 S

Formal charge

0

Molecular weight

163.238 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

IUPAC InChI key

GGLZPLKKBSSKCX-YFKPBYRVSA-N
ESC

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

HETAIN

Is modified

Yes

Standard parent

MET

Defined at

1999-09-27

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned