Chemical Components in the PDB

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OHN : Summary

Code

OHN

One-letter code

X

Molecule name

N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide
OpenEye OEToolkits 1.5.0 3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

Formula

C16 H27 N O4

Formal charge

0

Molecular weight

297.39 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC
SMILES CACTVS 3.341 CCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
Canonical SMILES CACTVS 3.341 CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

IUPAC InChI

InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1

IUPAC InChI key

PHSRRHGYXQCRPU-AWEZNQCLSA-N
OHN

wwPDB Information

Atom count

48 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-03-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned