Chemical Components in the PDB

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EN4 : Summary

Code

EN4

One-letter code

X

Molecule name

[cyclopentyl(hydroxy)amino](oxo)acetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [cyclopentyl(hydroxy)amino](oxo)acetic acid
OpenEye OEToolkits 2.0.6 2-[cyclopentyl(oxidanyl)amino]-2-oxidanylidene-ethanoic acid

Formula

C7 H11 N O4

Formal charge

0

Molecular weight

173.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(C(=O)N(C1CCCC1)O)(O)=O
SMILES CACTVS 3.385 ON(C1CCCC1)C(=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C1CCC(C1)N(C(=O)C(=O)O)O
Canonical SMILES CACTVS 3.385 ON(C1CCCC1)C(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCC(C1)N(C(=O)C(=O)O)O

IUPAC InChI

InChI=1S/C7H11NO4/c9-6(7(10)11)8(12)5-3-1-2-4-5/h5,12H,1-4H2,(H,10,11)

IUPAC InChI key

LBAXJZMLDPZSOL-UHFFFAOYSA-N
EN4

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-22

Last modified at

2019-01-25

Status

Released

Obsoleted

Not Assigned