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CHEBI:224045 - Amphiepicoccin E

ChEBI IDCHEBI:224045
ChEBI NameAmphiepicoccin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N2O7S3
Net Charge0
Average Mass500.620
Monoisotopic Mass500.07456
SMILESCO[C@H]1CC(=O)[C@@H]2C[C@@]3(SC)C(=O)N4[C@@H]5[C@@H](O)[C@@H]6CC(=O)[C@@H]5C[C@@]4(SS6)C(=O)N3[C@@H]2[C@H]1O
InChIInChI=1S/C20H24N2O7S3/c1-29-11-3-9(23)7-5-19(30-2)17(27)22-14-8-6-20(22,18(28)21(19)13(7)15(11)25)32-31-12(16(14)26)4-10(8)24/h7-8,11-16,25-26H,3-6H2,1-2H3/t7-,8-,11-,12-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKeyDVOCSEGBODRZQJ-ZHJPTRFQSA-N
Species of MetaboliteComponentSourceComments
Epicoccum (ncbitaxon:104397) - PubMed (31975590)
ChEBI Ontology
Outgoing Relation(s)
Amphiepicoccin E (CHEBI:224045) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin E (CHEBI:224045) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin E (CHEBI:224045) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,15-dihydroxy-6-methoxy-11-methylsulanyl-21,22-dithia-3,13-diazahexacyclo[14.4.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone