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CHEBI:69215 - ethyl tumonoate A

ChEBI IDCHEBI:69215
ChEBI Nameethyl tumonoate A
Stars
DefinitionA natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H37NO4
Net Charge0
Average Mass367.530
Monoisotopic Mass367.27226
SMILESCCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OCC
InChIInChI=1S/C21H37NO4/c1-5-7-8-9-10-11-13-16(3)19(23)17(4)20(24)22-15-12-14-18(22)21(25)26-6-2/h13,17-19,23H,5-12,14-15H2,1-4H3/b16-13+/t17-,18+,19-/m1/s1
InChIKeyATSNGULFDLCUIL-BFJJTLHJSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria margaritifera NAC8-55 (ncbitaxon:748040) - PubMed (21751786) Extracted with CHCl2/MeOH (2:1)
Oscillatoria margaritifera NAC8-54 (ncbitaxon:748039) - PubMed (21751786) Extracted with CHCl2/MeOH (2:1)
Oscillatoria margaritifera (ncbitaxon:748017)
- PubMed (21751786) Extracted with CHCl2/MeOH (2:1) Strain: NAC8 45
- PubMed (21751786) Extracted with CHCl2/MeOH (2:1) Strain: NAC8 46
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
ethyl tumonoate A (CHEBI:69215) has role metabolite (CHEBI:25212)
ethyl tumonoate A (CHEBI:69215) is a N-acyl-amino acid (CHEBI:51569)
Synonym  Source
Ethyl 1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-4-dodecenoyl]-L-prolinateChEBI
Citations