2-Hydroxy Oleic Acid - ≥98%(HPLC) , CAS No.56472-29-8

CAS: 56472-29-8 Cat. No.: H135987 Molecular Weight: 298.46 EC Number: 803-722-1

GRADE & PURITY ≥98%(HPLC)

Synonyms

alpha-Amino-delta-hydroxyvaleric acid | SCHEMBL378126 | (9Z)-2-hydroxyoctadec-9-enoic acid | CHEBI:143096 | Methyl 2-bromobutyrate, 97% | (Z)-2-hydroxyoctadec-9-enoic Acid | 2-hydroxyoleic acid | Minerval | NFX88 | NFX-88 | 2-HYDROXYOLEIC ACID [WHO-DD] |

Storage

Store at 2-8°C

Shipped In

Wet ice

Application

228,229

Specifications

Synonyms

alpha-Amino-delta-hydroxyvaleric acid | SCHEMBL378126 | (9Z)-2-hydroxyoctadec-9-enoic acid | CHEBI:143096 | Methyl 2-bromobutyrate, 97% | (Z)-2-hydroxyoctadec-9-enoic Acid | 2-hydroxyoleic acid | Minerval | NFX88 | NFX-88 | 2-HYDROXYOLEIC ACID [WHO-DD] |

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

2OHOA induces cell cycle arrest and apoptosis in several cancer cell lines, including glioma, leukemia, breast and colon cancer lines. 2OHOA increases sphingomyelin (SM) levels in the membranes of tumor cells, which typically display decreased SM membrane

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 508808522
• Canonical Smiles: CCCCCCCCC=CCCCCCCC(C(=O)O)O
• IUPAC Name: (Z)-2-hydroxyoctadec-9-enoic acid
• InChIKey: JBSOOFITVPOOSY-KTKRTIGZSA-N
• INCHI: 1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21)/b10-9-
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
• WGK Germany: 3
• Molecular Weight: 298.46
• Reaxy-Rn: 38983310
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38983310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Unsaturated fatty acids Monosaccharides Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Hydroxy acid - Unsaturated fatty acid - Monosaccharide - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Sensitivity: Light sensitive.
• Molecular Weight: 298.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 298.251 Da
• Monoisotopic Mass: 298.251 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 261.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1