U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C12H24O5S
Molecular Weight 280.381
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HOUTTUYFONIC ACID

SMILES

CCCCCCCCCC(=O)CC(O)S(O)(=O)=O

InChI

InChIKey=OTIFKYZNUYSJOU-UHFFFAOYSA-N
InChI=1S/C12H24O5S/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)18(15,16)17/h12,14H,2-10H2,1H3,(H,15,16,17)

HIDE SMILES / InChI

Molecular Formula C12H24O5S
Molecular Weight 280.381
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:39:32 UTC 2023
Edited
by admin
on Sat Dec 16 14:39:32 UTC 2023
Record UNII
X2I030F8RY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HOUTTUYFONIC ACID
Systematic Name English
1-DODECANESULFONIC ACID, 1-HYDROXY-3-OXO-
Systematic Name English
1-HYDROXY-3-OXO-1-DODECANESULFONIC ACID
Common Name English
HOUTTUYFONATE
Common Name English
Houttuyfonate [WHO-DD]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00432948
Created by admin on Sat Dec 16 14:39:32 UTC 2023 , Edited by admin on Sat Dec 16 14:39:32 UTC 2023
PRIMARY
CAS
783258-71-9
Created by admin on Sat Dec 16 14:39:32 UTC 2023 , Edited by admin on Sat Dec 16 14:39:32 UTC 2023
PRIMARY
PUBCHEM
9926429
Created by admin on Sat Dec 16 14:39:32 UTC 2023 , Edited by admin on Sat Dec 16 14:39:32 UTC 2023
PRIMARY
FDA UNII
X2I030F8RY
Created by admin on Sat Dec 16 14:39:32 UTC 2023 , Edited by admin on Sat Dec 16 14:39:32 UTC 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Inhibits bacterial attachment and pyocyanine secretion of Pseudomonas aeruginosa by attenuating flagella-mediated swimming motility.
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY