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CHEBI:210296 - Trienomycin K

ChEBI IDCHEBI:210296
ChEBI NameTrienomycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46N2O7
Net Charge0
Average Mass582.738
Monoisotopic Mass582.33050
SMILESCCCC(=O)N[C@H](C)C(=O)O[C@H]1CC=CC=CC=C[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CCC=C(C)[C@H](O)[C@H]1C
InChIInChI=1S/C33H46N2O7/c1-6-13-30(37)34-24(4)33(40)42-29-17-11-9-7-8-10-16-28(41-5)21-31(38)35-26-18-25(19-27(36)20-26)15-12-14-22(2)32(39)23(29)3/h7-11,14,16,18-20,23-24,28-29,32,36,39H,6,12-13,15,17,21H2,1-5H3,(H,34,37)(H,35,38)/t23-,24+,28-,29-,32-/m0/s1
InChIKeyQQOGUOJNGXXPQE-HAZHQEIQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30132670)
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 K (CHEBI:210296) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5R,13S,14R,15R)-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] (2R)-2-(butanoylamino)propanoate