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CHEBI:215650 - FR900452 C

ChEBI IDCHEBI:215650
ChEBI NameFR900452 C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O4S
Net Charge0
Average Mass427.526
Monoisotopic Mass427.15658
SMILESCSCC1NC(=C2CC=CC2=O)C([C@@H](C)C2(O)C(=O)N(C)c3ccccc32)NC1=O
InChIInChI=1S/C22H25N3O4S/c1-12(22(29)14-8-4-5-9-16(14)25(2)21(22)28)18-19(13-7-6-10-17(13)26)23-15(11-30-3)20(27)24-18/h4-6,8-10,12,15,18,23,29H,7,11H2,1-3H3,(H,24,27)/t12-,15?,18?,22?/m1/s1
InChIKeyWRIHBAZFGUFNHT-WVELIZPUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies B9173 (ncbitaxon:1462558) - PubMed (30020298)
ChEBI Ontology
Outgoing Relation(s)
FR900452 C (CHEBI:215650) has functional parent δ-amino acid (CHEBI:35931)
FR900452 C (CHEBI:215650) is a organonitrogen compound (CHEBI:35352)
FR900452 C (CHEBI:215650) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-hydroxy-1-methyl-3-[(1R)-1-[5-(methylsulanylmethyl)-6-oxo-3-(2-oxocyclopent-3-en-1-ylidene)piperazin-2-yl]ethyl]indol-2-one