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CHEBI:202559 - Brocazine G

ChEBI IDCHEBI:202559
ChEBI NameBrocazine G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O5S2
Net Charge0
Average Mass406.485
Monoisotopic Mass406.06571
SMILESO=C1N2[C@H]3C(=CC=C[C@@H]3O)C[C@]23SS[C@]12C[C@H]1[C@@H]([C@@H](O)C=C[C@@H]1O)N2C3=O
InChIInChI=1S/C18H18N2O5S2/c21-10-4-5-12(23)14-9(10)7-18-16(25)19-13-8(2-1-3-11(13)22)6-17(19,26-27-18)15(24)20(14)18/h1-5,9-14,21-23H,6-7H2/t9-,10+,11+,12+,13+,14+,17-,18-/m1/s1
InChIKeyQQJSAUCLZJFHSB-ZOSOKUFGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27723361)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brocazine G (CHEBI:202559) is a 2,5-diketopiperazines (CHEBI:65061)
Brocazine G (CHEBI:202559) is a indoles (CHEBI:24828)
Brocazine G (CHEBI:202559) is a organic disulfide (CHEBI:35489)
Brocazine G (CHEBI:202559) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4S,5S,11R,14S,15S,18S,19S)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,8,16-triene-2,12-dione
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