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CHEBI:210289 - Trienomycin J

ChEBI IDCHEBI:210289
ChEBI NameTrienomycin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52N2O7
Net Charge0
Average Mass624.819
Monoisotopic Mass624.37745
SMILESCO[C@H]1C=CC=CC=CC[C@H](OC(=O)[C@@H](C)NC(=O)CCCC(C)C)[C@H](C)[C@@H](O)C(C)=CCCc2cc(O)cc(c2)NC(=O)C1
InChIInChI=1S/C36H52N2O7/c1-24(2)14-12-19-33(40)37-27(5)36(43)45-32-18-11-9-7-8-10-17-31(44-6)23-34(41)38-29-20-28(21-30(39)22-29)16-13-15-25(3)35(42)26(32)4/h7-11,15,17,20-22,24,26-27,31-32,35,39,42H,12-14,16,18-19,23H2,1-6H3,(H,37,40)(H,38,41)/t26-,27+,31-,32-,35-/m0/s1
InChIKeyBKJXZBALKMPKBS-RSKSEMQGSA-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 J (CHEBI:210289) 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-(5-methylhexanoylamino)propanoate