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CHEBI:69064 - Glionitrin B

ChEBI IDCHEBI:69064
ChEBI NameGlionitrin B
Stars
DefinitionA natural product found in Sphingomonas species and Aspergillus fumigatus.
Last Modified26 October 2016
DownloadsMolfile
FormulaC15H17N3O5S2
Net Charge0
Average Mass383.451
Monoisotopic Mass383.06096
SMILESCS[C@@]1(CO)C(=O)N2c3cc([N+](=O)[O-])ccc3C[C@]2(SC)C(=O)N1C
InChIInChI=1S/C15H17N3O5S2/c1-16-12(20)14(24-2)7-9-4-5-10(18(22)23)6-11(9)17(14)13(21)15(16,8-19)25-3/h4-6,19H,7-8H2,1-3H3/t14-,15-/m0/s1
InChIKeyQPNKLYVDVCPJLD-GJZGRUSLSA-N
Species of MetaboliteComponentSourceComments
Sphingomonas sp. (ncbitaxon:28214) - PubMed (21954885) Coculture of Sphingomonas sp.(KMK-001) and Aspergillus fumigatus(KMC-901),ethyl acetate extract. Strain: KMK-001
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (21954885) Coculture of Sphingomonas sp.(KMK-001) and Aspergillus fumigatus(KMC-901),ethyl acetate extract. Strain: KMC 901
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
Glionitrin B (CHEBI:69064) has role Aspergillus metabolite (CHEBI:76956)
Glionitrin B (CHEBI:69064) is a indolyl carboxylic acid (CHEBI:46867)
Synonyms  Source
3S,10aS-dithiomethylglionitrin AChEBI
(3S,10aS)-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-7-nitro-10H-pyrazino[1,2-a]indole-1,4-dioneChEBI
Citations