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Petroselinic acid

CAT: 0931-T4870-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T4870-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
593-39-5
Target
Endogenous Metabolite, Antifungal, Antibiotic, Antibacterial
Related Pathways
Metabolism, Microbiology/Virology
Purity
0.9988
Bioactivity
Petroselinic acid (5-Heptadecylene-1-carboxylic acid) is a monounsaturated omega-12 fatty acid found naturally in plant and animal oils and fats.
Smiles
CCCCCCCCCCC\C=C/CCCCC(O)=O
Molecular Formula
C18H34O2
Molecular Weight
282.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Petroselinic Acid

Petroselinic acid is the cis-isomer of octadec-6-enoic acid, a long-chain fatty acid. It has a role as a plant metabolite. It is a conjugate acid of a petroselinate.

CAS Number593-39-5
PubChem CID5281125
IUPAC Name(Z)-octadec-6-enoic acid
Molecular FormulaC18H34O2
Molecular Weight282.5
XLogP7.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Heavy Atom Count20
Formal Charge0
Complexity234
SMILES
CCCCCCCCCCC/C=C\CCCCC(=O)O
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-
InChIKey
CNVZJPUDSLNTQU-SEYXRHQNSA-N
Chemical Structure
2D Structure
2D structure of Petroselinic Acid
CAS: 593-39-5
CID: 5281125
Formula: C18H34O2
MW: 282.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.5
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
Exact Mass282.255880323
Monoisotopic Mass282.255880323
Topological Polar Surface Area37.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity234
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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C09326-25mgPetroselinic acid
A19183-10Petroselinic acid 10mg
M37549-01Trans-Petroselinic Acid
A19183-50Petroselinic acid 50mg
A19183-200Petroselinic acid 200mg
A19183-100Petroselinic acid 100mg
A19183-25Petroselinic acid 25mg
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