Chemical Components in the PDB

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WEH : Summary

Code

WEH

One-letter code

X

Molecule name

L-Homoglutamine

Synonyms

(2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2,6-bis(azanyl)-6-oxidanylidene-hexanoic acid

Formula

C6 H12 N2 O3

Formal charge

0

Molecular weight

160.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](CCCC(N)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CC(C(=O)O)N)CC(=O)N
Canonical SMILES CACTVS 3.385 N[C@H](CCCC(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(C[C@@H](C(=O)O)N)CC(=O)N

IUPAC InChI

InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)/t4-/m1/s1

IUPAC InChI key

YZJSUQQZGCHHNQ-SCSAIBSYSA-N
WEH

wwPDB Information

Atom count

23 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2023-10-03

Last modified at

2024-03-22

Status

Released

Obsoleted

Not Assigned