CHEBI:224055 - Amphiepicoccin G

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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 G
ChEBI ID CHEBI:224055
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20N2O7S3
Net Charge 0
Average Mass 484.560
Monoisotopic Mass 484.04326
InChI InChI=1S/C19H20N2O7S3/c1-28-14-13(25)10-6-4-18(29-15(14)11(6)23)16(26)21-9-5-3-19(21,17(27)20(10)18)31-30-8(12(9)24)2-7(5)22/h5-6,8-10,12-15,24-25H,2-4H2,1H3/t5-,6+,8-,9-,10-,12-,13+,14+,15+,18+,19+/m0/s1
InChIKey KZUSTXWYNOBSTF-ICKVOYKCSA-N
SMILES S1S[C@@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)[C@@H](OC)[C@@H]7S[C@@]5(C4=O)C[C@H]6C7=O)C[C@H]3C(C2)=O
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing Amphiepicoccin G (CHEBI:224055) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin G (CHEBI:224055) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin G (CHEBI:224055) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5R,6R,7S,9R,11R,14S,15R,16S,19R)-5,15-dihydroxy-6-methoxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.17,11.01,13.03,11.04,9.014,19]tricosane-2,8,12,18-tetrone