P'-geranyl 3,5,7-trihydroxy-3-methylheptanate 7-diphosphate - Moligand™ , Inhibitor of diphosphomevalonate decarboxylase, CAS No.P612773, Inhibitor of diphosphomevalonate decarboxylase

CAS: P612773 Cat. No.: P612773 PubChem CID: 11658073

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of diphosphomevalonate decarboxylase

Nombres e identificadores

• Sonrisas canónicas: C/C(=C\COP(=O)(OP(=O)(OCCC(CC(CC(=O)O)(O)C)O)O)O)/CCC=C(C)C
• IUPAC Name: 7-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,5-dihydroxy-3-methylheptanoic acid
• InChIKey: WJXJJEWDRXZOEO-OVCLIPMQSA-N
• INCHI: 1S/C18H34O11P2/c1-14(2)6-5-7-15(3)8-10-27-30(23,24)29-31(25,26)28-11-9-16(19)12-18(4,22)13-17(20)21/h6,8,16,19,22H,5,7,9-13H2,1-4H3,(H,20,21)(H,23,24)(H,25,26)/b15-8+
• Isómeros SMILES: CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)OCCC(CC(C)(CC(=O)O)O)O)/C)C
• PubChem CID: 11658073

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Isoprenoid phosphates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Isoprenoid phosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoprenoid phosphates
• Alternative Parents: Organic pyrophosphates Acyclic monoterpenoids Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Monoalkyl phosphates Hydroxy fatty acids Tertiary alcohols Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Isoprenoid phosphate - Monoterpenoid - Organic pyrophosphate - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Monoalkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Fatty acyl - Alkyl phosphate - Tertiary alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoprenoid phosphates. These are prenol lipids containing a phosphate group linked to an isoprene (2-methylbuta-1,3-diene) unit.
• 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

Objetivos asociados (humanos)

MVD Tchem Diphosphomevalonate decarboxylase (1 Activities)

Discover Target: MVD

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