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CHEBI:206278 - (3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione

ChEBI IDCHEBI:206278
ChEBI Name(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32N2O5S2
Net Charge0
Average Mass456.630
Monoisotopic Mass456.17526
SMILESCOC(C)(C)[C@@H](O)COc1ccc(C[C@]2(SC)C(=O)N(C)[C@@H](SC)C(=O)N2C)cc1
InChIInChI=1S/C21H32N2O5S2/c1-20(2,27-5)16(24)13-28-15-10-8-14(9-11-15)12-21(30-7)19(26)22(3)18(29-6)17(25)23(21)4/h8-11,16,18,24H,12-13H2,1-7H3/t16-,18-,21-/m0/s1
InChIKeyWARDWSVNJGMQQK-MDKPJZGXSA-N
Species of MetaboliteComponentSourceComments
Penicillium crustosum (ncbitaxon:36656) - PubMed (30650614)
ChEBI Ontology
Outgoing Relation(s)
(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:206278) has functional parent α-amino acid (CHEBI:33704)
(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:206278) is a organonitrogen compound (CHEBI:35352)
(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione (CHEBI:206278) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6S)-3-[[4-[(2S)-2-hydroxy-3-methoxy-3-methylbutoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulanyl)piperazine-2,5-dione