CHEBI:224059 - Amphiepicoccin H

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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 H
ChEBI ID CHEBI:224059
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20N2O7S2
Net Charge 0
Average Mass 452.500
Monoisotopic Mass 452.07119
InChI InChI=1S/C19H20N2O7S2/c1-28-14-13(25)10-6-4-19(30-15(14)11(6)23)17(27)20-9-5-3-18(20,16(26)21(10)19)29-8(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 ZCLHPUMPDXITBU-ICKVOYKCSA-N
SMILES S1[C@@]23N(C(=O)[C@@]45S[C@H]6CC([C@@H]([C@H](N4C2=O)[C@H]6O)C5)=O)[C@H]7[C@@H](C3)C([C@@H]1[C@H](OC)[C@@H]7O)=O
Metabolite of Species Details
Epicoccum (NCBI:txid104397) See: PubMed
ChEBI Ontology
Outgoing Amphiepicoccin H (CHEBI:224059) has functional parent α-amino acid (CHEBI:33704)
Amphiepicoccin H (CHEBI:224059) is a organonitrogen compound (CHEBI:35352)
Amphiepicoccin H (CHEBI:224059) 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-dithia-3,13-diazaheptacyclo[14.4.1.17,11.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone