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CHEBI:199449 - YM-254890

ChEBI IDCHEBI:199449
ChEBI NameYM-254890
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H69N7O15
Net Charge0
Average Mass960.092
Monoisotopic Mass959.48516
SMILESC=C1C(=O)NC(C)C(=O)N(C)C(C)C(=O)NC(C(OC(=O)C(NC(C)=O)C(O)C(C)C)C(C)C)C(=O)N(C)C(C(C)OC)C(=O)OC(C)C(NC(C)=O)C(=O)OC(Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)
InChIKeyQVYLWCAYZGFGNF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Chromobacterium (ncbitaxon:535) - PubMed (12817809)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
YM-254890 (CHEBI:199449) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
[1-[21-acetamido-18-benzyl-3-(1-methoxyethyl)-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] 2-acetamido-3-hydroxy-4-methylpentanoate
Manual XrefsDatabases
8095095ChemSpider
HMDB0242664HMDB