EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223254 - delta7′′,8′′-6′′-hydroxynaphthomevalin

Default Structure
ChEBI IDCHEBI:223254
ChEBI Namedelta7′′,8′′-6′′-hydroxynaphthomevalin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31ClO6
Net Charge0
Average Mass462.970
Monoisotopic Mass462.18092
SMILESC=C(C)C(O)CC/C(C)=C/C[C@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@@]1(Cl)CC=C(C)C
InChIInChI=1S/C25H31ClO6/c1-14(2)8-10-24(26)23(31)21-18(12-17(27)13-20(21)29)22(30)25(24,32)11-9-16(5)6-7-19(28)15(3)4/h8-9,12-13,19,27-29,32H,3,6-7,10-11H2,1-2,4-5H3/b16-9+/t19?,24-,25-/m0/s1
InChIKeyVOBVZEIIAWUAKN-WMCYKRLGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32051568)
Roles Classification
Biological Roles:
fat-soluble vitamin (role)  Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
delta7′′,8′′-6′′-hydroxynaphthomevalin (CHEBI:223254) is a vitamin K (CHEBI:28384)
IUPAC Name 
(2S,3R)-3-chloro-2,5,7-trihydroxy-2-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]-3-(3-methylbut-2-enyl)naphthalene-1,4-dione