EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203662 - Asukamycin E-II

ChEBI IDCHEBI:203662
ChEBI NameAsukamycin E-II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36N2O7
Net Charge0
Average Mass536.625
Monoisotopic Mass536.25225
SMILESCC(C)CC/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
InChIInChI=1S/C30H36N2O7/c1-21(2)13-9-5-3-4-6-10-14-27(37)31-22-20-30(39,26(36)19-25(22)35)18-12-8-7-11-15-28(38)32-29-23(33)16-17-24(29)34/h3-8,10-12,14-15,18,20-21,26,33,36,39H,9,13,16-17,19H2,1-2H3,(H,31,37)(H,32,38)/b5-3+,6-4+,8-7+,14-10+,15-11+,18-12+/t26-,30+/m1/s1
InChIKeyAGGFQFOCZNGYPZ-ZDJUWLPYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11426658)
ChEBI Ontology
Outgoing Relation(s)
Asukamycin E-II (CHEBI:203662) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-10-methylundeca-2,4,6-trienamide
Manual XrefsDatabases
78440168ChemSpider