3-hydroxy-3-methyl-6-phosphohexanoic acid - Moligand™ , Inhibitor of phosphomevalonate kinase, CAS No.63370-13-8, Inhibitor of phosphomevalonate kinase

CAS: 63370-13-8 Cat. No.: H607157 PubChem CID: 23452327

GRADE & PURITY Moligand™

Synonyms

SCHEMBL11310701 | PD049217 | GTPL3202 | Q27073729 | 3-hydroxy-3-methyl-6-phosphonohexanoic acid | 3-Hydroxy-3-methyl-6-phosphohexanoic acid | DTXSID80634286

Storage

Room temperature

Specifications

Synonyms

SCHEMBL11310701 | PD049217 | GTPL3202 | Q27073729 | 3-hydroxy-3-methyl-6-phosphonohexanoic acid | 3-Hydroxy-3-methyl-6-phosphohexanoic acid | DTXSID80634286

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of phosphomevalonate kinase

Names and Identifiers

• Canonical Smiles: OC(=O)CC(CCCP(=O)(O)O)(O)C
• IUPAC Name: 3-hydroxy-3-methyl-6-phosphonohexanoic acid
• InChIKey: XRCIRZGXKWCWNQ-UHFFFAOYSA-N
• INCHI: 1S/C7H15O6P/c1-7(10,5-6(8)9)3-2-4-14(11,12)13/h10H,2-5H2,1H3,(H,8,9)(H2,11,12,13)
• Isomeric SMILES: CC(CCCP(=O)(O)O)(CC(=O)O)O
• PubChem CID: 23452327

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Medium-chain hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Medium-chain hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain hydroxy acids and derivatives
• Alternative Parents: Medium-chain fatty acids Hydroxy fatty acids Tertiary alcohols Organic phosphonic acids Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Organophosphonic acid - Organophosphonic acid derivative - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Organophosphorus compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
• 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)

PMVK Tchem Phosphomevalonate kinase (1 Activities)

Discover Target: PMVK

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