CHEBI:224031 - Amphiepicoccin B

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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 B
ChEBI ID CHEBI:224031
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22N2O6S3
Net Charge 0
Average Mass 470.570
Monoisotopic Mass 470.06400
InChI InChI=1S/C19H22N2O6S3/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-11(24)4-12(29-30-19)15(25)14(8)21(19)16(18)26/h2-3,7-10,12-15,22-23,25H,4-6H2,1H3/t7-,8-,9-,10-,12-,13-,14-,15-,18+,19+/m0/s1
InChIKey WQGPXNGYKZQLOZ-YPQONYOZSA-N
SMILES S1S[C@@H]2[C@H](O)[C@H]3N4[C@]1(C(=O)N5[C@@H]6[C@@H](O)C=C[C@@H]([C@@H]6C[C@]5(C4=O)SC)O)C[C@H]3C(C2)=O
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing Amphiepicoccin B (CHEBI:224031) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin B (CHEBI:224031) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin B (CHEBI:224031) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5S,8S,9R,11R,14S,15R,16S,19R)-5,8,15-trihydroxy-11-methylsulanyl-21,22-dithia-3,13-diazahexacyclo[14.4.2.01,13.03,11.04,9.014,19]docos-6-ene-2,12,18-trione