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CHEBI:68745 - chetoseminudin A

Default Structure
ChEBI IDCHEBI:68745
ChEBI Namechetoseminudin A
Stars
DefinitionA natural product found in Farrowia seminuda.( Compound class : epipolythiodioxopiperazines)
DownloadsMolfile
FormulaC31H44N6O6S5
Net Charge0
Average Mass757.064
Monoisotopic Mass756.19259
SMILES[H]OC([H])([H])[C@@]12SS[C@@](C([H])([H])[C@@H]3C([H])N([C@@]45C6C([H])C([H])C([H])C([H])C6N([H])[C@]4([H])N4C(=O)[C@]6(C([H])([H])O[H])SSS[C@]4(C(=O)N6C([H])([H])[H])C5([H])[H])[C@@H]4C([H])C([H])C([H])C([H])[C@@H]43)(C(=O)N1C([H])([H])[H])N(C([H])([H])[H])C2=O
InChIInChI=1S/C31H44N6O6S5/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-45-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-48-46-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h17-22,32,38-39H,4-16H2,1-3H3/t17-,18?,19?,20?,21?,22-,27+,28+,29+,30+,31+/m1/s1
InChIKeyWAPKRWWCSFLVRG-LPUNHGNLSA-N
Species of MetaboliteComponentSourceComments
Farrowia seminuda (ncbitaxon:110149) - PubMed (14738397)
ChEBI Ontology
Outgoing Relation(s)
chetoseminudin A (CHEBI:68745) has role metabolite (CHEBI:25212)
chetoseminudin A (CHEBI:68745) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
556864ChemSpider
Citations