Chemical Components in the PDB

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LXQ : Summary

Code

LXQ

One-letter code

X

Molecule name

(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid

Formula

C7 H11 N O3

Formal charge

0

Molecular weight

157.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N1CC[CH](C1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCC(C1)C(=O)O
Canonical SMILES CACTVS 3.385 CC(=O)N1CC[C@H](C1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CC[C@H](C1)C(=O)O

IUPAC InChI

InChI=1S/C7H11NO3/c1-5(9)8-3-2-6(4-8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m1/s1

IUPAC InChI key

FEQQMBBBBFVNMN-ZCFIWIBFSA-N
LXQ

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-27

Last modified at

2020-07-24

Status

Released

Obsoleted

Not Assigned