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(S) -Coriolic acid

CAT: 0013-GTR19190298-02Size: 250 ug (337.33 μ M x 2.5 ml in ethanol)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19190298-02Size:250 ug (337.33 μ M x 2.5 ml in ethanol)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -Coriolic acid
CAS Number
29623-28-7
Product Name Alternative
Coriolic acid, 13HODE, 15 LOX, 13 (S) -HODE, Mitochondrial Metabolism, MitochondrialMetabolism, PPARγ
Field of Research
Metabolism Research, Molecular Biology
Purity
97.11% (May vary between batches)
Solubility
Ethanol:>50 mg/mL (per Rao Maddipati) ; PBS (pH 7.2) :1 mg/mL (3.37 mM) ; DMF:>50 mg/mL (per Rao Maddipati) ; DMSO:55 mg/mL (185.54 mM)
Smiles
C (=C/C=C\CCCCCCCC (O) =O) \[C@H] (CCCCC) O
Molecular Formula
C18H32O3
Molecular Weight
296.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(9Z,11E,13S)-13-Hydroxyoctadeca-9,11-Dienoic Acid

13(S)-HODE is an HODE (hydroxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroxy group is at position 13 (with S-configuration). It has a role as an antineoplastic agent, a mouse metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 13(S)-HODE(1-).

CAS Number29623-28-7
PubChem CID6443013
IUPAC Name(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
Molecular FormulaC18H32O3
Molecular Weight296.4
XLogP5.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count21
Formal Charge0
Complexity295
SMILES
CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
InChIKey
HNICUWMFWZBIFP-IRQZEAMPSA-N
Chemical Structure
2D Structure
2D structure of (9Z,11E,13S)-13-Hydroxyoctadeca-9,11-Dienoic Acid
CAS: 29623-28-7
CID: 6443013
Formula: C18H32O3
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass296.23514488
Monoisotopic Mass296.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity295
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

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