EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:128754 - GDP-valienol

ChEBI IDCHEBI:128754
ChEBI NameGDP-valienol
Stars
DefinitionA nucleotide conjugate consisting of CDP joined at the 1-position of valienol via a diphosphate linkage.
Last Modified18 April 2016
DownloadsMolfile
FormulaC17H25N5O15P2
Net Charge0
Average Mass601.355
Monoisotopic Mass601.08224
SMILESNc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4C=C(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C17H25N5O15P2/c18-17-20-14-8(15(29)21-17)19-4-22(14)16-13(28)11(26)7(35-16)3-34-38(30,31)37-39(32,33)36-6-1-5(2-23)9(24)12(27)10(6)25/h1,4,6-7,9-13,16,23-28H,2-3H2,(H,30,31)(H,32,33)(H3,18,20,21,29)/t6-,7+,9+,10-,11+,12-,13+,16+/m0/s1
InChIKeySBXHHXUHVHYPDE-WPOGMVEHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (21766819)
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
GDP-valienol (CHEBI:128754) has functional parent GDP (CHEBI:17552)
GDP-valienol (CHEBI:128754) has role bacterial xenobiotic metabolite (CHEBI:76976)
GDP-valienol (CHEBI:128754) is a cyclitol phosphate (CHEBI:23450)
GDP-valienol (CHEBI:128754) is a nucleotide conjugate (CHEBI:47784)
GDP-valienol (CHEBI:128754) is conjugate acid of GDP-valienol(2−) (CHEBI:91253)
Incoming Relation(s)
GDP-valienol(2−) (CHEBI:91253) is conjugate base of GDP-valienol (CHEBI:128754)
IUPAC Name 
5'-O-{hydroxy[(hydroxy{[(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]oxy}phosphoryl)oxy]phosphoryl}guanosine
Manual XrefsDatabases
CPD-18787MetaCyc
Registry NumbersSources
Reaxys:21164356Reaxys
Citations