CHEBI:69613 - Trichodepsipeptide A

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ChEBI Name Trichodepsipeptide A
ChEBI ID CHEBI:69613
Definition A natural product found in Trichothecium speciesMSX 51320.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H56N4O9
Net Charge 0
Average Mass 688.85120
Monoisotopic Mass 688.40473
InChI InChI=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
InChIKey ITNSWMYMZKJXQE-WPMUBMLPSA-N
SMILES CC(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](OC(=O)[C@H](CO)NC1=O)C(C)C
Metabolite of Species Details
Trichothecium sp.cies MSX 51320 (NCBI:txid1094547) Mycosynthetix fungal strain was isolated by Dr.Barry Katz from leaf litter See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Trichodepsipeptide A (CHEBI:69613) has role metabolite (CHEBI:25212)
Trichodepsipeptide A (CHEBI:69613) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
21978324 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:alpha-amino acid ester(CHEBI:46874); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:dicarboxylic acid(CHEBI:35692); ISA:carboxamide(CHEBI:37622); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);