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CHEBI:217336 - [(2R,4R,5S,6R)-6-ethyl-2-[(2R,3S,4R)-3-hydroxy-4-[(2R,3R,4E,6E,9R,10S,11S,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate

ChEBI IDCHEBI:217336
ChEBI Name[(2R,4R,5S,6R)-6-ethyl-2-[(2R,3S,4R)-3-hydroxy-4-[(2R,3R,4E,6E,9R,10S,11S,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H61NO10
Net Charge0
Average Mass703.914
Monoisotopic Mass703.42955
SMILESCC[C@H]1O[C@@](OC)([C@H](C)[C@@H](O)[C@@H](C)[C@H]2OC(=O)/C(C)=C/C(C)=C/[C@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H]2OC)C[C@@H](OC(=O)/C=C/C(N)=O)[C@H]1C
InChIInChI=1S/C39H61NO10/c1-12-30-27(7)32(48-34(42)17-16-33(40)41)21-39(47-11,50-30)29(9)36(44)28(8)37-31(46-10)15-13-14-22(2)18-24(4)35(43)25(5)19-23(3)20-26(6)38(45)49-37/h13-17,19-20,24-25,27-32,35-37,43-44H,12,18,21H2,1-11H3,(H2,40,41)/b15-13+,17-16+,22-14+,23-19+,26-20+/t24-,25+,27+,28-,29-,30-,31-,32-,35+,36+,37-,39-/m1/s1
InChIKeyCDHGHPOTWUQUQJ-JPIBOOGESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tetlet.2016.02.061)
ChEBI Ontology
Outgoing Relation(s)
[(2R,4R,5S,6R)-6-ethyl-2-[(2R,3S,4R)-3-hydroxy-4-[(2R,3R,4E,6E,9R,10S,11S,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate (CHEBI:217336) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4R,5S,6R)-6-ethyl-2-[(2R,3S,4R)-3-hydroxy-4-[(2R,3R,4E,6E,9R,10S,11S,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-2-methoxy-5-methyloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate