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CHEBI:221859 - Trienomycin E

ChEBI IDCHEBI:221859
ChEBI NameTrienomycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H50N2O7
Net Charge0
Average Mass610.792
Monoisotopic Mass610.36180
SMILESCO[C@@H]1/C=C/C=C/C=C\C[C@@H](OC(=O)[C@H](C)NC(=O)CCC(C)C)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1
InChIInChI=1S/C35H50N2O7/c1-23(2)17-18-32(39)36-26(5)35(42)44-31-16-11-9-7-8-10-15-30(43-6)22-33(40)37-28-19-27(20-29(38)21-28)14-12-13-24(3)34(41)25(31)4/h7-11,13,15,19-21,23,25-26,30-31,34,38,41H,12,14,16-18,22H2,1-6H3,(H,36,39)(H,37,40)/b8-7+,11-9-,15-10+,24-13+/t25-,26-,30+,31+,34-/m0/s1
InChIKeyJJBUXIPSVLPJSA-RHMGKRJBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2708144)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Trienomycin E (CHEBI:221859) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5S,6E,8E,10Z,13R,14R,15R,16E)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2S)-2-(4-methylpentanoylamino)propanoate