Chemical Components in the PDB

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SWW : Summary

Code

SWW

One-letter code

S

Molecule name

(2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-3-(2-hydroxyethylsulfanyl)propanoic acid

Formula

C5 H11 N O3 S

Formal charge

0

Molecular weight

165.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CSCCO)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CSCC(C(=O)O)N)O
Canonical SMILES CACTVS 3.385 N[C@H](CSCCO)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CSC[C@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m1/s1

IUPAC InChI key

MWFRVMDVLYIXJF-SCSAIBSYSA-N
SWW

wwPDB Information

Atom count

21 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

L-peptide linking

Type code

HETAIN

Is modified

Yes

Standard parent

SER

Defined at

2020-12-02

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned