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CHEBI:203631 - Brocazine C

ChEBI IDCHEBI:203631
ChEBI NameBrocazine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20N2O7S2
Net Charge0
Average Mass440.499
Monoisotopic Mass440.07119
SMILESO=C1C[C@H](O)[C@H](O)[C@@H]2[C@H]1C[C@@]13SS[C@]4(C[C@H]5[C@@H]([C@@H](O)C=C[C@@H]5O)N4C1=O)C(=O)N23
InChIInChI=1S/C18H20N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-9,11-14,21-22,24-25H,3-5H2/t6-,7+,8+,9+,11+,12+,13+,14+,17-,18-/m1/s1
InChIKeyLPUHZOUWCQALDK-LENHPZMJSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25105722)
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 C (CHEBI:203631) is a 2,5-diketopiperazines (CHEBI:65061)
Brocazine C (CHEBI:203631) is a indoles (CHEBI:24828)
Brocazine C (CHEBI:203631) is a organic disulfide (CHEBI:35489)
Brocazine C (CHEBI:203631) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15S,18S,19S)-5,6,15,18-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docos-16-ene-2,8,12-trione
Manual XrefsDatabases
34981983ChemSpider