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CHEBI:221864 - Trienomycin D

ChEBI IDCHEBI:221864
ChEBI NameTrienomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48N2O7
Net Charge0
Average Mass620.787
Monoisotopic Mass620.34615
SMILESCO[C@H]1/C=C/C=C/C=C\C[C@H](OC(=O)[C@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1
InChIInChI=1S/C36H48N2O7/c1-24-14-13-15-27-20-29(22-30(39)21-27)38-33(40)23-31(44-4)18-11-6-5-7-12-19-32(25(2)34(24)41)45-36(43)26(3)37-35(42)28-16-9-8-10-17-28/h5-7,11-12,14,16,18,20-22,25-26,31-32,34,39,41H,8-10,13,15,17,19,23H2,1-4H3,(H,37,42)(H,38,40)/b6-5+,12-7-,18-11+,24-14+/t25-,26-,31-,32-,34+/m0/s1
InChIKeyOBMHDUHQCCKFEX-VPRJSADRSA-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 D (CHEBI:221864) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5R,6E,8E,10Z,13S,14R,15S,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-(cyclohexene-1-carbonylamino)propanoate