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CHEBI:69214 - methyl tumonoate B

ChEBI IDCHEBI:69214
ChEBI Namemethyl tumonoate B
Stars
DefinitionA natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H49NO8
Net Charge0
Average Mass539.710
Monoisotopic Mass539.34582
SMILESCCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)OC)[C@@H](C)CC
InChIInChI=1S/C29H49NO8/c1-8-10-11-12-13-14-16-20(4)24(31)21(5)26(32)30-18-15-17-23(30)28(34)38-25(19(3)9-2)29(35)37-22(6)27(33)36-7/h16,19,21-25,31H,8-15,17-18H2,1-7H3/b20-16+/t19-,21+,22-,23-,24+,25+/m0/s1
InChIKeyRYWKXTITOBZASH-DZOJKPGOSA-N
Species of MetaboliteComponentSourceComments
Oscillatoria margaritifera NAC8-55 (ncbitaxon:748040) - PubMed (21751786) Extracted with CHCl2/MeOH (2:1)
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)
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)
methyl tumonoate B (CHEBI:69214) has role metabolite (CHEBI:25212)
methyl tumonoate B (CHEBI:69214) is a depsipeptide (CHEBI:23643)
Synonym  Source
(2R,3S)-1-{[(2S)-1-Methoxy-1-oxo-2-propanyl]oxy}-3-methyl-1-oxo-2-pentanyl 1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-4-dodecenoyl]-L-prolinateChEBI
Citations