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CHEBI:217898 - Brocazine D

ChEBI IDCHEBI:217898
ChEBI NameBrocazine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O8S2
Net Charge0
Average Mass470.525
Monoisotopic Mass470.08176
SMILESCO[C@H]1CC(=O)[C@@H]2C[C@@]34SS[C@]5(C[C@H]6C(=O)C[C@H](O)[C@H](O)[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]1O
InChIInChI=1S/C19H22N2O8S2/c1-29-11-3-9(23)7-5-19-16(27)20-12-6(8(22)2-10(24)14(12)25)4-18(20,30-31-19)17(28)21(19)13(7)15(11)26/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11-,12-,13-,14-,15-,18+,19+/m0/s1
InChIKeyOQBICUASXZODNX-NCRURJJJSA-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 D (CHEBI:217898) is a 2,5-diketopiperazines (CHEBI:65061)
Brocazine D (CHEBI:217898) is a indoles (CHEBI:24828)
Brocazine D (CHEBI:217898) is a organic disulfide (CHEBI:35489)
Brocazine D (CHEBI:217898) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
(1R,4S,5R,6S,9R,11R,14S,15R,16S,19R)-5,6,15-trihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosane-2,8,12,18-tetrone
Manual XrefsDatabases
34982004ChemSpider