geranyl diphosphate - Moligand™ , Inhibitor of diphosphomevalonate decarboxylase;Inhibitor of mevalonate kinase, CAS No.763-10-0, Inhibitor of diphosphomevalonate decarboxylase;Inhibitor of mevalonate kinase

CAS: 763-10-0 Cat. No.: G610549 PubChem CID: 445995

GRADE & PURITY Moligand™

Synonyms

(6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-8-oxo-3-propenyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid | diphosphoric acid, mono[(2E)-3,7-dimethyl-2,6-octadienyl] ester | Geranyl pyrophosphate (6CI) | CHEBI:17211 | GPP | GERANYL PYROP

Storage

Room temperature

Specifications

同義語

(6R,7R)-7-((R)-2-Amino-2-(p-hydroxyphenyl)acetamido)-8-oxo-3-propenyl-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid | diphosphoric acid, mono[(2E)-3,7-dimethyl-2,6-octadienyl] ester | Geranyl pyrophosphate (6CI) | CHEBI:17211 | GPP | GERANYL PYROP

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of diphosphomevalonate decarboxylase;Inhibitor of mevalonate kinase

名前と識別子

• カノニカル・スマイル: C/C(=C\COP(=O)(OP(=O)(O)O)O)/CCC=C(C)C
• IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] phosphono hydrogen phosphate
• InChIKey: GVVPGTZRZFNKDS-JXMROGBWSA-N
• INCHI: 1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
• 異性体SMILES: CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)C
• PubChem CID: 445995

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Isoprenoid phosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoprenoid phosphates
• Alternative Parents: Organic pyrophosphates Acyclic monoterpenoids Monoalkyl phosphates Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic pyrophosphate - Monoterpenoid - Isoprenoid phosphate - Acyclic monoterpenoid - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• 説明: 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: Acyclic monoterpenoids

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

関連ターゲット（人間）

MVK Tchem Mevalonate kinase (2 Activities)

Discover Target: MVK

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

MVD Tchem Diphosphomevalonate decarboxylase (0 Activities)

Discover Target: MVD

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

FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)

Discover Target: FDPS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Inppl1 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (2 Activities)

Discover Target: Inppl1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ispF 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (31 Activities)

Discover Target: ispF

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 314.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 314.068 Da
• Monoisotopic Mass: 314.068 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 431.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1