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(±) 18-HETE

CAT: 0931-T35467-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0931-T35467-01Size:25 µg
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CAS Number
133268-58-3
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
(±) 18-HETE (18-Hydroxyeicosatetraenoic acid) is an arachidonic acid metabolite with a hydroxyl group on carbon 18, catalyzed by cytochrome P-450.
Smiles
C(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(O)=O)(CC)O
Molecular Formula
C20H32O3
Molecular Weight
320.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

18-Hydroxyeicosatetraenoic acid

18-HETE is a HETE that consists of arachidonic acid bearing a hydroxy substituent at position 18. It is functionally related to an icosa-5,8,11,14-tetraenoic acid. It is a conjugate acid of a 18-HETE(1-).

CAS Number133268-58-3
PubChem CID6442778
IUPAC Name(5Z,8Z,11Z,14Z)-18-hydroxyicosa-5,8,11,14-tetraenoic acid
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP4.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
CCC(CC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-
InChIKey
PPCHNRUZQWLEMF-XBOCNYGYSA-N
Chemical Structure
2D Structure
2D structure of 18-Hydroxyeicosatetraenoic acid
CAS: 133268-58-3
CID: 6442778
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass320.23514488
Monoisotopic Mass320.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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