EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215272 - 16-oxonapyradiomycin A2

ChEBI IDCHEBI:215272
ChEBI Name16-oxonapyradiomycin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28Cl2O6
Net Charge0
Average Mass495.399
Monoisotopic Mass494.12629
SMILESC=C(C)C(=O)CCC(C)=CC[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C25H28Cl2O6/c1-13(2)17(29)7-6-14(3)8-9-25-21(31)16-10-15(28)11-18(30)20(16)22(32)24(25,27)12-19(26)23(4,5)33-25/h8,10-11,19,28,30H,1,6-7,9,12H2,2-5H3/t19-,24+,25+/m1/s1
InChIKeyYAMAETJPGJWVHQ-NGXZDTIWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (18271555)
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)
16-oxonapyradiomycin A2 (CHEBI:215272) is a vitamin K (CHEBI:28384)
IUPAC Name 
(3R,4aR,10aS)-3,4a-dichloro-10a-(3,7-dimethyl-6-oxoocta-2,7-dienyl)-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Manual XrefsDatabases
78437536ChemSpider