analog 3 [Vlattas et al., 1996] - Moligand™ , Inhibitor of diphosphomevalonate decarboxylase, CAS No.A607637, Inhibitor of diphosphomevalonate decarboxylase

CAS: A607637 Cat. No.: A607637 PubChem CID: 44306132

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: CN(CC(=O)O)CCOP(=O)(OP(=O)(O)O)O
• IUPAC Name: 2-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-methylamino]acetic acid
• InChIKey: YERUUUBBRAPJND-UHFFFAOYSA-N
• INCHI: 1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)
• Isomeric SMILES: CN(CCOP(=O)(O)OP(=O)(O)O)CC(=O)O
• PubChem CID: 44306132

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds
      • Subclass Organic pyrophosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Organic pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic pyrophosphates
• Alternative Parents: Alpha amino acids Phosphoethanolamines Monoalkyl phosphates Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Alpha-amino acid or derivatives - Organic pyrophosphate - Phosphoethanolamine - Monoalkyl phosphate - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.
• 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)

Mechanisms of Action