EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209867 - 8'-acetoxyepicoccin D

ChEBI IDCHEBI:209867
ChEBI Name8'-acetoxyepicoccin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N2O7S2
Net Charge0
Average Mass464.521
Monoisotopic Mass464.07119
SMILESCC(=O)O[C@@H]1[C@@H]2[C@H]3C[C@@]4(S[C@H]1CC3=O)C(=O)N1[C@@H]3[C@@H](O)[C@@H]5CC(=O)[C@@H]3C[C@@]1(S5)C(=O)N24
InChIInChI=1S/C20H20N2O7S2/c1-6(23)29-16-12-3-10(25)8-5-20(31-12)17(27)21-13-7-4-19(21,18(28)22(20)14(8)16)30-11(15(13)26)2-9(7)24/h7-8,11-16,26H,2-5H2,1H3/t7-,8-,11-,12-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyDDEIVQQAUQFNEC-ZHJPTRFQSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (32183021)
ChEBI Ontology
Outgoing Relation(s)
8'-acetoxyepicoccin D (CHEBI:209867) has functional parent α-amino acid (CHEBI:33704)
8'-acetoxyepicoccin D (CHEBI:209867) is a organonitrogen compound (CHEBI:35352)
8'-acetoxyepicoccin D (CHEBI:209867) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-15-hydroxy-2,8,12,18-tetraoxo-21,22-dithia-3,13-diazaheptacyclo[14.4.1.16,11.01,13.03,11.04,9.014,19]docosan-5-yl] acetate