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CHEBI:169951 - YM-216391

ChEBI IDCHEBI:169951
ChEBI NameYM-216391
Stars
DefinitionAn azamacrocycle with formula C34H32N8O7S isolated from the cultured mycelium of Streptomyces nobilis. It exhibits potent cytotoxic activity against human cancer cell lines.
Last Modified15 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC34H32N8O7S
Net Charge0
Average Mass696.746
Monoisotopic Mass696.21147
SMILESCC[C@@H](C)[C@H]1NC(=O)c2nc(oc2-c2ccccc2)-c2csc(n2)-c2coc(n2)-c2coc(n2)-c2coc(n2)CNC(=O)[C@H](C(C)C)NC1=O
InChIInChI=1S/C34H32N8O7S/c1-5-17(4)25-29(44)40-24(16(2)3)28(43)35-11-23-36-19(12-46-23)31-37-20(13-47-31)32-38-21(14-48-32)34-39-22(15-50-34)33-42-26(30(45)41-25)27(49-33)18-9-7-6-8-10-18/h6-10,12-17,24-25H,5,11H2,1-4H3,(H,35,43)(H,40,44)(H,41,45)/t17-,24+,25-/m1/s1
InChIKeyTXKVZUHICTYULO-HCOMASKESA-N
Species of MetaboliteComponentSourceComments
Streptomyces nobilis (ncbitaxon:66901) mycelium (BTO:0001436) PubMed (15813178) Strain: JCM 4274
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
YM-216391 (CHEBI:169951) has role antineoplastic agent (CHEBI:35610)
YM-216391 (CHEBI:169951) has role bacterial metabolite (CHEBI:76969)
YM-216391 (CHEBI:169951) is a 1,3-oxazoles (CHEBI:46812)
YM-216391 (CHEBI:169951) is a 1,3-thiazoles (CHEBI:38418)
YM-216391 (CHEBI:169951) is a azamacrocycle (CHEBI:52898)
YM-216391 (CHEBI:169951) is a benzenes (CHEBI:22712)
YM-216391 (CHEBI:169951) is a heterodetic cyclic peptide (CHEBI:24533)
IUPAC Name 
(20R,23S)-20-[(2R)-butan-2-yl]-16-phenyl-23-(propan-2-yl)-3,7,15,28-tetraoxa-11-thia-19,22,25,30,31,32,33,34-octaazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione
Synonyms  Source
YM 216391ChEBI
YM216391ChEBI
Citations