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CHEBI:224178 - Phaeosphaone C

ChEBI IDCHEBI:224178
ChEBI NamePhaeosphaone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25N3O3S2
Net Charge0
Average Mass407.561
Monoisotopic Mass407.13373
SMILESCS[C@H](c1cnc2ccccc12)[C@]1(O)NC(=O)[C@@](SC)(C(C)C)N(C)C1=O
InChIInChI=1S/C19H25N3O3S2/c1-11(2)19(27-5)16(23)21-18(25,17(24)22(19)3)15(26-4)13-10-20-14-9-7-6-8-12(13)14/h6-11,15,20,25H,1-5H3,(H,21,23)/t15-,18-,19+/m1/s1
InChIKeyYNHWBYDWKYIJRH-LZQZEXGQSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeria fuckelii (ncbitaxon:178153) - PubMed (32342692)
ChEBI Ontology
Outgoing Relation(s)
Phaeosphaone C (CHEBI:224178) has functional parent α-amino acid (CHEBI:33704)
Phaeosphaone C (CHEBI:224178) is a organonitrogen compound (CHEBI:35352)
Phaeosphaone C (CHEBI:224178) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-hydroxy-3-[(R)-1H-indol-3-yl(methylsulanyl)methyl]-1-methyl-6-methylsulanyl-6-propan-2-ylpiperazine-2,5-dione