Chemical Components in the PDB

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HJT : Summary

Code

HJT

One-letter code

X

Molecule name

(2~{S})-2-azanyl-4-sulfo-butanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-4-sulfo-butanoic acid

Formula

C4 H9 N O5 S

Formal charge

0

Molecular weight

183.183 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CC[S](O)(=O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CS(=O)(=O)O)C(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](CC[S](O)(=O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(CS(=O)(=O)O)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1

IUPAC InChI key

VBOQYPQEPHKASR-VKHMYHEASA-N
HJT

wwPDB Information

Atom count

20 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-12-11

Last modified at

2019-06-07

Status

Released

Obsoleted

Not Assigned