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Substrate Report for: n-valerate

It is found naturally in the perennial flowering plant valerian (Valeriana officinalis), from which it gets its name. Its primary use is in the synthesis of its esters. Volatile esters of valeric acid tend to have pleasant odors and are used in perfumes and cosmetics. Product of hydolysis of HODA-6-n-butyl (n-butyl-HODA) by Carbon-carbon_bond_hydrolase psefl-cumD


General
Type Fatty acid
Chemical_Nomenclature pentanoic acid
Canonical SMILES CCCCC(=O)O
InChI InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Other name(s) Valeric acid ; PENTANOIC ACID ; N-Valeric acid ; 109-52-4 ; N-Pentanoic acid ; Valerianic acid
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MW|102.13
Formula|C5H10O2
CAS_number|
PubChem|7991
UniChem|NQPDZGIKBAWPEJ-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | n-valerate ligand of proteins in family: Carbon-carbon_bond_hydrolase
Stucture | 1 structure: 1UK8: Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with n-valerate
Protein | psefl-cumD

References:
Search PubMed for references concerning: n-valerate
    Title: A series of crystal structures of a meta-cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) complexed with various cleavage products
    Fushinobu S, Jun SY, Hidaka M, Nojiri H, Yamane H, Shoun H, Omori T, Wakagi T
    Ref: Biosci Biotechnol Biochem, 69:491, 2005 : PubMed