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CHEBI:213922 - Trienomycin H

ChEBI IDCHEBI:213922
ChEBI NameTrienomycin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42N2O7
Net Charge0
Average Mass554.684
Monoisotopic Mass554.29920
SMILESCO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(C)=O)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1
InChIInChI=1S/C31H42N2O7/c1-20-12-11-13-24-16-25(18-26(35)17-24)33-29(36)19-27(39-5)14-9-7-6-8-10-15-28(21(2)30(20)37)40-31(38)22(3)32-23(4)34/h6-10,12,14,16-18,21-22,27-28,30,35,37H,11,13,15,19H2,1-5H3,(H,32,34)(H,33,36)/b7-6+,10-8+,14-9+,20-12-/t21-,22-,27-,28-,30-/m0/s1
InChIKeyXABMJNPASAJFSG-LVMMZXKTSA-N
Species of MetaboliteComponentSourceComments
Ochrobactrum (ncbitaxon:528) - PubMed (30111735)
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 H (CHEBI:213922) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(5R,6E,8E,10E,13S,14R,15R,16Z)-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-acetamidopropanoate