octadec-12-ynoic acid

• ChemBase ID: 155079
• Molecular Formular: C18H32O2
• Molecular Mass: 280.44548
• Monoisotopic Mass: 280.24023026
• SMILES: CCCCCC#CCCCCCCCCCCC(=O)O
• Canonical SMILES: CCCCCC#CCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-17H2,1H3,(H,19,20)
• InChIKey: UTJWKGZXCAQRPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-12-ynoic acid
• IUPAC Traditional name: 12-octadecynoic acid
• Synonyms: Anti-Orexin B antibody produced in rabbit

Database IDs

• MDL Number: MFCD03097108
• PubChem SID: 162249217; 24897924
• PubChem CID: 3378048

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.074621
• LogD (pH = 7.4): 4.3154864
• Log P: 6.730427
• Molar Refractivity: 85.647 cm^3
• Polarizability: 33.30096 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: buffered aqueous solution

Safety Information

• German water hazard class: -
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... HCRT(3060)rat ... Hcrt(25723)

Product Information

• Application(s): indirect ELISA: 1:8,000; radioimmunoassay: 1:1,000
• Shipped in: dry ice
• Clone: polyclonal
• Species Reactivity: human, mouse, rat
• Antibody Form: IgG fraction of antiserum

DETAILS

Sigma Aldrich - O0132

Immunogen
synthetic peptide corresponding to the N-terminus of human orexin B (amino acids 1-18 with C-terminally added lysine), conjugated to BSA. This sequence is highly conserved (single amino acid substitution) in mouse and rat orexin B and is different from the orexin A sequence.
Physical form
Solution in 0.01 M phosphate buffered saline, pH 7.4, containing 15 mM sodium azide.