CHEBI:215650 - FR900452 C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name FR900452 C
ChEBI ID CHEBI:215650
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H25N3O4S
Net Charge 0
Average Mass 427.520
Monoisotopic Mass 427.15658
InChI InChI=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
InChIKey WRIHBAZFGUFNHT-WVELIZPUSA-N
SMILES S(CC1NC(=C2C(=O)C=CC2)C([C@H](C3(O)C(=O)N(C)C4=C3C=CC=C4)C)NC1=O)C
Metabolite of Species Details
Streptomycesspecies B9173 (NCBI:txid1462558) See: PubMed
ChEBI Ontology
Outgoing 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