9(S)-HOTrE - Moligand™, ≥98%, 1mg/ml in ethanol , CAS No.89886-42-0

CAS: 89886-42-0 Cat. No.: H341510 Formula: C₁₈H₃₀O₃ Peso molecolare: 294.4

GRADE & PURITY Moligand™, ≥98%, 1mg/ml in ethanol

Synonyms

9(S)-HOT | CHEBI:80447 | (9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid | AKOS040756087 | 9-Hydroxy-10,12,15-octadecatrienoic acid | Q27149496 | RIGGEAZDTKMXSI-MEBVTJQTSA-N | (10E,12Z,15Z)-9-OH-10,12,15-ODTA | 9-OH-10,12,15-Odta | 9S-HOTrE |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

9(S)-HOTrE is a monohydroxy polyunsaturated fatty acid produced by the activity of 5(S)-lipoxygenase on α-linolenic acid. It is predominantly localized in cellular ester lipids of|Glechoma hederacea|leaves and is partially released during artificial dehydration. Its biological role in|G. hederacea|leaves is still undetermined, but it could play a role in natural senescence. It is is an inhibitor of germ tube elongation and spore germination of rice blast fungus (ED|50|= 30 and 45 ppm, respectively).

Specifications

Sinonimi

9(S)-HOT | CHEBI:80447 | (9S)-(10E,12Z,15Z)-9-Hydroxyoctadecatri-10,12,15-enoic acid | AKOS040756087 | 9-Hydroxy-10,12,15-octadecatrienoic acid | Q27149496 | RIGGEAZDTKMXSI-MEBVTJQTSA-N | (10E,12Z,15Z)-9-OH-10,12,15-ODTA | 9-OH-10,12,15-Odta | 9S-HOTrE |

Specifiche e purezza

Moligand™, ≥98%, 1mg/ml in ethanol

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504764187
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764187
• Sorrisi canonici: CCC=CCC=CC=CC(CCCCCCCC(=O)O)O
• IUPAC Name: (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
• InChIKey: RIGGEAZDTKMXSI-MEBVTJQTSA-N
• INCHI: 1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14,17,19H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3-,8-6-,14-11+/t17-/m1/s1
• Isomeri SMILES: CC/C=C\C/C=C\C=C\[C@H](CCCCCCCC(=O)O)O
• WGK Germania: 1
• Peso molecolare: 294.4
• Reaxy-Rn: 21650436
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21650436&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lineolic acids and derivatives
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Octadecanoid - Long-chain fatty acid - Hydroxy fatty acid - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.
• External Descriptors: Other Octadecanoids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Soluble in PBS(pH7.2) (~0.8 mg/ml), 0.1M Na2CO3 (2 mg/ml), DMSO, and DMF.
• Indice di rifrazione: n20D1.50 (Predicted)
• Punto di ebollizione (°C): 78° C
• Peso molecolare: 294.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 294.219 Da
• Monoisotopic Mass: 294.219 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 329.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1