CHEBI:224051 - Amphiepicoccin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Amphiepicoccin F
ChEBI ID CHEBI:224051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24N2O7S2
Net Charge 0
Average Mass 468.540
Monoisotopic Mass 468.10249
InChI InChI=1S/C20H24N2O7S2/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)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
InChIKey JGBGTRQOJHIYLP-ZHJPTRFQSA-N
SMILES S1[C@@]23N(C(=O)[C@]4(SC)C[C@@H]5[C@H](N4C2=O)[C@@H](O)[C@@H](OC)CC5=O)[C@@H]6[C@H]([C@@H]1CC(=O)[C@@H]6C3)O
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing Amphiepicoccin F (CHEBI:224051) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin F (CHEBI:224051) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin F (CHEBI:224051) 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-thia-3,13-diazahexacyclo[14.4.1.01,13.03,11.04,9.014,19]henicosane-2,8,12,18-tetrone