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CHEBI:215643 - FR900452 B

ChEBI IDCHEBI:215643
ChEBI NameFR900452 B
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SubmitterMetaboLights
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FormulaC22H27N3O3S
Net Charge0
Average Mass413.543
Monoisotopic Mass413.17731
SMILESCSCC1NC(=C2CCCC2=O)C([C@@H](C)C2C(=O)N(C)c3ccccc32)NC1=O
InChIInChI=1S/C22H27N3O3S/c1-12(18-13-7-4-5-9-16(13)25(2)22(18)28)19-20(14-8-6-10-17(14)26)23-15(11-29-3)21(27)24-19/h4-5,7,9,12,15,18-19,23H,6,8,10-11H2,1-3H3,(H,24,27)/t12-,15?,18?,19?/m0/s1
InChIKeyUJORPALMYURJRQ-SJDIFYRVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies B9173 (ncbitaxon:1462558) - PubMed (30020298)
ChEBI Ontology
Outgoing Relation(s)
FR900452 B (CHEBI:215643) has functional parent δ-amino acid (CHEBI:35931)
FR900452 B (CHEBI:215643) is a organonitrogen compound (CHEBI:35352)
FR900452 B (CHEBI:215643) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
1-methyl-3-[(1S)-1-[5-(methylsulanylmethyl)-6-oxo-3-(2-oxocyclopentylidene)piperazin-2-yl]ethyl]-3H-indol-2-one