Chemical Components in the PDB

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7MK : Summary

Code

7MK

One-letter code

X

Molecule name

[(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium

Formula

C11 H16 N O2

Formal charge

1

Molecular weight

194.25 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [NH3+][CH]1CCc2ccccc2CC1(O)O
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)CCC(C(C2)(O)O)[NH3+]
Canonical SMILES CACTVS 3.385 [NH3+][C@H]1CCc2ccccc2CC1(O)O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+]

IUPAC InChI

InChI=1S/C11H15NO2/c12-10-6-5-8-3-1-2-4-9(8)7-11(10,13)14/h1-4,10,13-14H,5-7,12H2/p+1/t10-/m0/s1

IUPAC InChI key

DUYOIJVXOKTLQG-JTQLQIEISA-O
7MK

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-21

Last modified at

2017-04-14

Status

Released

Obsoleted

Not Assigned