Chemical Components in the PDB

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E6F : Summary

Code

E6F

One-letter code

X

Molecule name

(1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (1~{S},2~{S})-2-azanylcyclohexane-1-carboxylic acid

Formula

C7 H13 N O2

Formal charge

0

Molecular weight

143.184 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH]1CCCC[CH]1C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C1CCC(C(C1)C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@H]1CCCC[C@@H]1C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C1CC[C@@H]([C@H](C1)C(=O)O)N

IUPAC InChI

InChI=1S/C7H13NO2/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6-/m0/s1

IUPAC InChI key

USQHEVWOPJDAAX-WDSKDSINSA-N
E6F

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-29

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned