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CHEBI:69613 - Trichodepsipeptide A

ChEBI IDCHEBI:69613
ChEBI NameTrichodepsipeptide A
Stars
DefinitionA natural product found in Trichothecium species MSX 51320.
Last Modified22 September 2014
DownloadsMolfile
FormulaC36H56N4O9
Net Charge0
Average Mass688.863
Monoisotopic Mass688.40473
SMILESCC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)OC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C36H56N4O9/c1-20(2)15-25-31(42)39-27(19-41)35(46)49-30(23(7)8)36(47)48-29(17-22(5)6)33(44)38-26(18-24-13-11-10-12-14-24)34(45)40(9)28(16-21(3)4)32(43)37-25/h10-14,20-23,25-30,41H,15-19H2,1-9H3,(H,37,43)(H,38,44)(H,39,42)/t25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyITNSWMYMZKJXQE-WPMUBMLPSA-N
Species of MetaboliteComponentSourceComments
Trichothecium species MSX 51320 (ncbitaxon:1094547) - PubMed (21978324) Mycosynthetix fungal strain was isolated by Dr.Barry Katz from leaf litter
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Trichodepsipeptide A (CHEBI:69613) has role metabolite (CHEBI:25212)
Trichodepsipeptide A (CHEBI:69613) is a cyclodepsipeptide (CHEBI:35213)
Citations