CHEBI:225191 - Epicoccin P

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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 Epicoccin P
ChEBI ID CHEBI:225191
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24N2O6S2
Net Charge 0
Average Mass 440.530
Monoisotopic Mass 440.10758
InChI InChI=1S/C19H24N2O6S2/c1-28-18-5-7-9(22)2-3-10(23)13(7)20(18)17(27)19-6-8-14(21(19)16(18)26)11(24)4-12(29-19)15(8)25/h7-14,22-24H,2-6H2,1H3/t7-,8-,9+,10+,11+,12+,13+,14+,18-,19-/m1/s1
InChIKey UQUQAJOQSLPCBH-OZJOOMBYSA-N
SMILES S1[C@@]23N(C(=O)[C@]4(SC)C[C@H]5[C@H](N4C2=O)[C@@H](O)CC[C@@H]5O)[C@H]6[C@@H](C3)C([C@@H]1C[C@@H]6O)=O
Metabolite of Species Details
Epicoccum nigrum (NCBI:txid105696) See: PubMed
ChEBI Ontology
Outgoing Epicoccin P (CHEBI:225191) has functional parent α-amino acid (CHEBI:33704)
Epicoccin P (CHEBI:225191) is a organonitrogen compound (CHEBI:35352)
Epicoccin P (CHEBI:225191) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R,4S,5S,8S,9S,11R,14S,15S,17S,19R)-5,8,15-trihydroxy-11-methylsulanyl-21-thia-3,13-diazahexacyclo[15.3.1.01,13.03,11.04,9.014,19]henicosane-2,12,18-trione