EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225226 - Pentenomycin II

ChEBI IDCHEBI:225226
ChEBI NamePentenomycin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O5
Net Charge0
Average Mass186.163
Monoisotopic Mass186.05282
SMILESCC(=O)O[C@H]1C=CC(=O)[C@]1(O)CO
InChIInChI=1S/C8H10O5/c1-5(10)13-7-3-2-6(11)8(7,12)4-9/h2-3,7,9,12H,4H2,1H3/t7-,8+/m0/s1
InChIKeyAGNRGFRAFJOXHH-JGVFFNPUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4792064)
ChEBI Ontology
Outgoing Relation(s)
Pentenomycin II (CHEBI:225226) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
[(1S,5S)-5-hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
Manual XrefsDatabases
171598ChemSpider