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13-Hydroxy-9-octadecenoic acid

CAT: 0804-HY-N13284Size: 1 EachDry Ice: NoHazardous: No
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Description
13-Hydroxy-9-octadecenoic acid is a hydroxy unsaturated fatty acid (HUFA) that has anti-fungal activity[1].
CAS Number
324575-43-1
UNSPSC
12352211
Target
Fungal
Type
Natural Products
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/13-hydroxy-9-octadecenoic-acid.html
Smiles
O=C(CCCCCCC/C=C/CCC(CCCCC)O)O
Molecular Formula
C18H34O3
Molecular Weight
298.46
References & Citations
[1]Liang N, et al. High-Speed Counter-Current Chromatography (HSCCC) Purification of Antifungal Hydroxy Unsaturated Fatty Acids from Plant-Seed Oil and Lactobacillus Cultures. J Agric Food Chem. 2017 Dec 27;65 (51) :11229-11236.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

13-Hydroxy-9-octadecenoic acid
CAS Number324575-43-1
PubChem CID22572147
IUPAC Name(E)-13-hydroxyoctadec-9-enoic acid
Molecular FormulaC18H34O3
Molecular Weight298.5
XLogP5.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count15
Heavy Atom Count21
Formal Charge0
Complexity261
SMILES
CCCCCC(CC/C=C/CCCCCCCC(=O)O)O
InChI
InChI=1S/C18H34O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,17,19H,2-6,8,10-16H2,1H3,(H,20,21)/b9-7+
InChIKey
QVAVREIGSFJSOU-VQHVLOKHSA-N
Chemical Structure
2D Structure
2D structure of 13-Hydroxy-9-octadecenoic acid
CAS: 324575-43-1
CID: 22572147
Formula: C18H34O3
MW: 298.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.5
XLogP35.6
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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