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CHEBI:149460 - DON-15-penicillin G

ChEBI IDCHEBI:149460
ChEBI NameDON-15-penicillin G
Stars
Submittermwilliams
DownloadsMolfile
FormulaC31H38N2O10S
Net Charge0
Average Mass630.716
Monoisotopic Mass630.22472
SMILES[H][C@@]12C=C(C)C(=O)[C@@H](O)[C@]1(COC(=O)[C@@H](NC(=O)Cc1ccccc1)[C@]1([H])N[C@@H](C(=O)O)C(C)(C)S1)[C@@]1(C)C[C@@H](O)[C@@]([H])(O2)[C@@]12CO2
InChIInChI=1S/C31H38N2O10S/c1-15-10-18-30(23(37)21(15)36,29(4)12-17(34)24(43-18)31(29)14-42-31)13-41-27(40)20(25-33-22(26(38)39)28(2,3)44-25)32-19(35)11-16-8-6-5-7-9-16/h5-10,17-18,20,22-25,33-34,37H,11-14H2,1-4H3,(H,32,35)(H,38,39)/t17-,18-,20+,22+,23-,24-,25-,29-,30-,31+/m1/s1
InChIKeyQWVMGPRKQIFBCQ-CGSVPHPVSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (32167285)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
DON-15-penicillin G (CHEBI:149460) has functional parent benzylpenicillin (CHEBI:18208)
DON-15-penicillin G (CHEBI:149460) has functional parent deoxynivalenol (CHEBI:10022)
DON-15-penicillin G (CHEBI:149460) is a trichothecene (CHEBI:55517)
Synonym  Source
deoxynivalenol 15-penicillin GSUBMITTER