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CHEBI:225312 - Brevigellin

ChEBI IDCHEBI:225312
ChEBI NameBrevigellin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H41N5O7
Net Charge0
Average Mass595.697
Monoisotopic Mass595.30060
SMILESCC1CC(=O)OC(C)C(NC(=O)c2ccccc2)C(=O)NC(C)C(=O)N2CCCC2C(=O)N2C=C(CCCC(=O)N1)CC2
InChIInChI=1S/C31H41N5O7/c1-19-17-26(38)43-21(3)27(34-28(39)23-10-5-4-6-11-23)29(40)33-20(2)30(41)36-15-8-12-24(36)31(42)35-16-14-22(18-35)9-7-13-25(37)32-19/h4-6,10-11,18-21,24,27H,7-9,12-17H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)
InChIKeyVDRUBSZESURIAN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium brevicompactum (ncbitaxon:5074) - DOI (10.1016/s0040-4020(01)98946-x)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brevigellin (CHEBI:225312) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-(9,13,17-trimethyl-2,8,11,15,19-pentaoxo-14-oxa-1,7,10,18-tetrazatricyclo[21.2.1.03,7]hexacos-23(26)-en-12-yl)benzamide
Manual XrefsDatabases
78444732ChemSpider