P'-geranyl 2-fluoromevalonate 5-diphosphate - Moligand™ , Inhibitor of diphosphomevalonate decarboxylase, CAS No.P612772, Inhibitor of diphosphomevalonate decarboxylase

CAS: P612772 Cat. No.: P612772 PubChem CID: 56947087

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of diphosphomevalonate decarboxylase

Names and Identifiers

• Canonical Smiles: C/C(=C\COP(=O)(OP(=O)(OCCC(C(C(=O)O)F)(O)C)O)O)/CCC=C(C)C
• IUPAC Name: 5-({[({[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-fluoro-3-hydroxy-3-methylpentanoic acid
• InChIKey: ACYPMTKDKJZHBJ-MDWZMJQESA-N
• INCHI: 1S/C16H29FO10P2/c1-12(2)6-5-7-13(3)8-10-25-28(21,22)27-29(23,24)26-11-9-16(4,20)14(17)15(18)19/h6,8,14,20H,5,7,9-11H2,1-4H3,(H,18,19)(H,21,22)(H,23,24)/b13-8+
• Isomeric SMILES: CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)OCCC(C)(C(C(=O)O)F)O)/C)C
• PubChem CID: 56947087

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Isoprenoid phosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoprenoid phosphates
• Alternative Parents: Acyclic monoterpenoids Organic pyrophosphates Halogenated fatty acids Hydroxy fatty acids Monoalkyl phosphates Short-chain hydroxy acids and derivatives Alpha-halocarboxylic acids Tertiary alcohols Fluorohydrins Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Isoprenoid phosphate - Monoterpenoid - Organic pyrophosphate - Hydroxy fatty acid - Monoalkyl phosphate - Halogenated fatty acid - Short-chain hydroxy acid - Fatty acyl - Organic phosphoric acid derivative - Alkyl phosphate - Phosphoric acid ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Tertiary alcohol - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organofluoride - Organohalogen compound - Aliphatic acyclic compound
• Description: 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

Associated Targets(Human)

MVD Tchem Diphosphomevalonate decarboxylase (2 Activities)

Discover Target: MVD

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