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12-Hydroxy-9 (E) -octadecenoic acid

CAT: 0804-HY-W718426-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W718426-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
12-Hydroxy-9 (E) -octadecenoic acid ((E) -12-Hydroxyoctadec-9-enoic acid) is an ester product.
CAS Number
82188-83-8
Product Name Alternative
(E) -12-Hydroxyoctadec-9-enoic acid
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/12-hydroxy-9-e-octadecenoic-acid.html
Smiles
CCCCCCC(O)C/C=C/CCCCCCCC(O)=O
Molecular Formula
C18H34O3
Molecular Weight
298.46
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(9E)-12-hydroxyoctadec-9-enoic acid

(9E)-12-hydroxyoctadec-9-enoic acid is a hydroxy fatty acid that is (9E)-octadec-9-enoic (elaidic) acid carrying a hydroxy substituent at position 12. It is a hydroxy monounsaturated fatty acid, a long-chain fatty acid and a hydroxy fatty acid. It is functionally related to an elaidic acid. It is a conjugate acid of a (9E)-12-hydroxyoctadec-9-enoate.

CAS Number82188-83-8
PubChem CID5282943
IUPAC Name(E)-12-hydroxyoctadec-9-enoic acid
Molecular FormulaC18H34O3
Molecular Weight298.5
XLogP5.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity261
SMILES
CCCCCCC(C/C=C/CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9+
InChIKey
WBHHMMIMDMUBKC-FMIVXFBMSA-N
Chemical Structure
2D Structure
2D structure of (9E)-12-hydroxyoctadec-9-enoic acid
CAS: 82188-83-8
CID: 5282943
Formula: C18H34O3
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Exact Mass298.25079494
Monoisotopic Mass298.25079494
Topological Polar Surface Area57.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity261
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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