Products for Research Use Only

15 (S) -HEDE

CAT: 0931-T37397-01Size: 25 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T37397-01Size:25 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
92693-04-4
Target
Others, Lipoxygenase
Related Pathways
Others, Metabolism
Bioactivity
15 (S) -HEDE is produced from 11Z,14Z-eicosadienoic acid by 15-LO. 15 (S) -HEDE is an inhibitor of RBL-1 cell 5-LO with an IC50 value of 26 μM.
Smiles
C(=C/C=C\CCCCCCCCCC(O)=O)\[C@H](CCCCC)O
Molecular Formula
C20H36O3
Molecular Weight
324.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

15(S)-Hede
CAS Number92693-04-4
PubChem CID13723964
IUPAC Name(11Z,13E,15S)-15-hydroxyicosa-11,13-dienoic acid
Molecular FormulaC20H36O3
Molecular Weight324.5
XLogP6.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count23
Formal Charge0
Complexity321
SMILES
CCCCC[C@@H](/C=C/C=C\CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+/t19-/m0/s1
InChIKey
ZTRWPEHMGCHTIT-XMSPSUPSSA-N
Chemical Structure
2D Structure
2D structure of 15(S)-Hede
CAS: 92693-04-4
CID: 13723964
Formula: C20H36O3
MW: 324.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight324.5
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass324.26644501
Monoisotopic Mass324.26644501
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes