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CHEBI:220608 - Oidioperazine A

ChEBI IDCHEBI:220608
ChEBI NameOidioperazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26N4O5S2
Net Charge0
Average Mass538.651
Monoisotopic Mass538.13446
SMILESCS[C@@]1(CO)C(=O)N2[C@H]3N(C=O)c4ccccc4[C@@]3(c3cnc4ccccc34)[C@H](O)[C@]2(SC)C(=O)N1C
InChIInChI=1S/C26H26N4O5S2/c1-28-23(35)26(37-3)20(33)25(17-12-27-18-10-6-4-8-15(17)18)16-9-5-7-11-19(16)29(14-32)21(25)30(26)22(34)24(28,13-31)36-2/h4-12,14,20-21,27,31,33H,13H2,1-3H3/t20-,21+,24-,25+,26-/m0/s1
InChIKeyITQAUKWLTNMHOH-WLXMOELSSA-N
Species of MetaboliteComponentSourceComments
Oidiodendron (ncbitaxon:78141) - PubMed (22583079)
ChEBI Ontology
Outgoing Relation(s)
Oidioperazine A (CHEBI:220608) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,4S,7S,8S,9R)-8-hydroxy-4-(hydroxymethyl)-9-(1H-indol-3-yl)-5-methyl-4,7-bis(methylsulanyl)-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-16-carbaldehyde
Manual XrefsDatabases
28511220ChemSpider