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CHEBI:224168 - Phaeosphaone A

ChEBI IDCHEBI:224168
ChEBI NamePhaeosphaone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19N3O3S2
Net Charge0
Average Mass377.491
Monoisotopic Mass377.08678
SMILESCC(C)[C@]12SS[C@]([C@@H](O)c3cnc4ccccc34)(NC1=O)C(=O)N2C
InChIInChI=1S/C17H19N3O3S2/c1-9(2)17-14(22)19-16(24-25-17,15(23)20(17)3)13(21)11-8-18-12-7-5-4-6-10(11)12/h4-9,13,18,21H,1-3H3,(H,19,22)/t13-,16-,17-/m0/s1
InChIKeyRALMSQWXLMSAHR-JQFCIGGWSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeria fuckelii (ncbitaxon:178153) - PubMed (32342692)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phaeosphaone A (CHEBI:224168) is a 2,5-diketopiperazines (CHEBI:65061)
Phaeosphaone A (CHEBI:224168) is a indoles (CHEBI:24828)
Phaeosphaone A (CHEBI:224168) is a organic disulfide (CHEBI:35489)
Phaeosphaone A (CHEBI:224168) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1S,4S)-1-[(S)-hydroxy(1H-indol-3-yl)methyl]-5-methyl-4-propan-2-yl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione