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CHEBI:224139 - Chetocochliodin I

ChEBI IDCHEBI:224139
ChEBI NameChetocochliodin I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17N3O3S4
Net Charge0
Average Mass427.598
Monoisotopic Mass427.01528
SMILESCN1C(=O)[C@@]2(Cc3cnc4ccccc34)N(C)C(=O)[C@]1(CO)S2=S=S=S
InChIInChI=1S/C16H17N3O3S4/c1-18-14(22)16(9-20)19(2)13(21)15(18,26(16)25-24-23)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,17,20H,7,9H2,1-2H3/t15-,16-,26?/m0/s1
InChIKeyTYBHREIJLQFQJG-ZIZWBSLWSA-N
Species of MetaboliteComponentSourceComments
Chaetomium cochliodes (ncbitaxon:904709) - PubMed (32115958)
ChEBI Ontology
Outgoing Relation(s)
Chetocochliodin I (CHEBI:224139) has functional parent α-amino acid (CHEBI:33704)
Chetocochliodin I (CHEBI:224139) is a organonitrogen compound (CHEBI:35352)
Chetocochliodin I (CHEBI:224139) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4S)-1-(hydroxymethyl)-4-(1H-indol-3-ylmethyl)-2,5-dimethyl-7-[(sulanylidene-lambda4-sulanylidene)-lambda4-sulanylidene]-7lambda4-thia-2,5-diazabicyclo[2.2.1]heptane-3,6-dione