CHEBI:210289 - Trienomycin J

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Trienomycin J
ChEBI ID CHEBI:210289
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H52N2O7
Net Charge 0
Average Mass 624.819
Monoisotopic Mass 624.37745
InChI InChI=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
InChIKey BKJXZBALKMPKBS-RSKSEMQGSA-N
SMILES O=C1NC2=CC(O)=CC(=C2)CCC=C([C@H](O)[C@@H](C)[C@H](CC=CC=CC=C[C@@H](C1)OC)OC(=O)[C@H](NC(=O)CCCC(C)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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