The Biofilms Structural Database

Back

C8-HSL

1L3L

Code

LAE

Name

3-oxo-octanoid acid (2-oxo-tetrahydro-furan-3-yl)-amide

Molecular Weight

241.28

Isomeric SMILES

CCCCCC(=O)CC(=O)N[[email protected]]1CCOC1=O

Formula

C12H19NO4

Identifiers

3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide

Formal Charge

0

InChI

InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1

Atom Count

36

InChIKey

FXCMGCFNLNFLSH-JTQLQIEISA-N

PDB codes

1L3L, 4Y17

Type

Non-polymer

Chiral Atom Count

1

Chiral Atoms

C1

Bond Count

36

Aromatic Bond Count

0

Leaving Atoms

n/a