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CHEBI:69213 - methyl tumonoate A

ChEBI IDCHEBI:69213
ChEBI Namemethyl tumonoate A
Stars
DefinitionA natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H35NO4
Net Charge0
Average Mass353.503
Monoisotopic Mass353.25661
SMILESCCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C20H35NO4/c1-5-6-7-8-9-10-12-15(2)18(22)16(3)19(23)21-14-11-13-17(21)20(24)25-4/h12,16-18,22H,5-11,13-14H2,1-4H3/b15-12+/t16-,17+,18-/m1/s1
InChIKeySZDORSKCYIOHRW-HOOHWIHRSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria margaritifera (ncbitaxon:748017)
- PubMed (21751786) Extracted with CHCl2/MeOH (2:1) Strain: NAC8 46
- PubMed (21751786) Extracted with CHCl2/MeOH (2:1) Strain: NAC8 45
Oscillatoria margaritifera NAC8-54 (ncbitaxon:748039) - PubMed (21751786) Extracted with CHCl2/MeOH (2:1)
Oscillatoria margaritifera NAC8-55 (ncbitaxon:748040) - PubMed (21751786) Extracted with CHCl2/MeOH (2:1)
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)
methyl tumonoate A (CHEBI:69213) has role metabolite (CHEBI:25212)
methyl tumonoate A (CHEBI:69213) is a N-acyl-amino acid (CHEBI:51569)
Synonym  Source
Methyl 1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-4-dodecenoyl]-L-prolinateChEBI
Citations