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12-HETE

CAT: 0931-T35507-02Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0931-T35507-02Size:50 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71030-37-0
Target
Apoptosis
Related Pathways
Apoptosis
Bioactivity
12-HETE ((±) 12-HETE) is a modulator of PGE2, with both anti-thrombotic and pro-thrombotic effects, inducing PGE2 release and COX-2 expression via phospholipase A2 (sPLA2-IIA) inducers. It is also a neuroregulator activating retinal cell endothelial dysfunction in diabetic retinopathy.
Smiles
C(\C(C/C=C\CCCCC)O)=C/C=C\C/C=C\CCCC(O)=O
Molecular Formula
C20H32O3
Molecular Weight
320.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (E,Z,Z,Z)-
CAS Number71030-37-0
PubChem CID5312983
IUPAC Name(5E,8Z,10Z,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP5.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
CCCCC/C=C\CC(/C=C\C=C/C/C=C/CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7+,11-8-,13-10-,17-14-
InChIKey
ZNHVWPKMFKADKW-FYMOKONMSA-N
Chemical Structure
2D Structure
2D structure of 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, (E,Z,Z,Z)-
CAS: 71030-37-0
CID: 5312983
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP35.2
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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