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(E) -Oct-2-enoic acid

CAT: 0013-GTR19168991-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168991-02Size:500 mg
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Description
(E) -Oct-2-enoic acid is a natural fatty acid metabolite present in human plasma and urine, formed via hepatic microsomal oxidation of aldehydes. This compound is used in research on lipid metabolism, oxidative stress pathways, and as a biomarker in both in vitro and in vivo metabolic studies.
CAS Number
1871-67-6
Product Name Alternative
Trans-2-Octenoic acid, Endogenous Metabolite, (E) Oct 2 enoic acid, (E) Oct2enoic acid, EndogenousMetabolite, Oct-2-enoic acid
Field of Research
Cancer Biology, Metabolism Research
Purity
95.47% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (14.06 mM) ; DMSO:60 mg/mL (421.94 mM)
Smiles
CCCCC\C=C\C (O) =O
Molecular Formula
C8H14O2
Molecular Weight
142.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

trans-2-Octenoic acid

(2E)-oct-2-enoic acid is an olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer). It has a role as an animal metabolite. It is a monounsaturated fatty acid, an olefinic fatty acid, a straight-chain fatty acid and a medium-chain fatty acid. It is a conjugate acid of a (2E)-oct-2-enoate.

CAS Number1871-67-6
PubChem CID5282714
IUPAC Name(E)-oct-2-enoic acid
Molecular FormulaC8H14O2
Molecular Weight142.20
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
CCCCC/C=C/C(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6+
InChIKey
CWMPPVPFLSZGCY-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of trans-2-Octenoic acid
CAS: 1871-67-6
CID: 5282714
Formula: C8H14O2
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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