(5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate - Moligand™ , Inhibitor of squalene synthase , CAS No.E609284, Inhibitor of squalene synthase

CAS: E609284 Cat. No.: E609284 PubChem CID: 56947060

GRADE & PURITY Moligand™

Synonyms

compound 4

Storage

Room temperature

Specifications

Synonyms

compound 4

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of squalene synthase

Names and Identifiers

• Canonical Smiles: C/C(=C\CCCC(S(=O)(=O)[O-])P(=O)([O-])[O-])/CC/C=C(/CCC=C(C)C)\C
• IUPAC Name: (5E,9E)-6,10,14-trimethyl-1-phosphonatopentadeca-5,9,13-triene-1-sulfonate
• InChIKey: GAGCDEGBGYUQJJ-QKXOVSGLSA-K
• INCHI: 1S/C18H33O6PS/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18(25(19,20)21)26(22,23)24/h9-10,13,18H,5-8,11-12,14H2,1-4H3,(H2,19,20,21)(H,22,23,24)/p-3/b16-10+,17-13+
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-])/C)/C)C
• PubChem CID: 56947060

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Sulfonyls Organosulfonic acids Organic phosphonic acids Alkanesulfonic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sesquiterpenoid - Farsesane sesquiterpenoid - Organophosphonic acid - Organophosphonic acid derivative - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organophosphorus compound - Organic anion - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• 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

Associated Targets(Human)

FDFT1 Tchem Squalene synthase (1 Activities)

Discover Target: FDFT1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)