EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:69207 - tumonoic acid A

ChEBI IDCHEBI:69207
ChEBI Nametumonoic acid A
Stars
DefinitionA natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC19H33NO4
Net Charge0
Average Mass339.476
Monoisotopic Mass339.24096
SMILESCCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C19H33NO4/c1-4-5-6-7-8-9-11-14(2)17(21)15(3)18(22)20-13-10-12-16(20)19(23)24/h11,15-17,21H,4-10,12-13H2,1-3H3,(H,23,24)/b14-11+/t15-,16+,17-/m1/s1
InChIKeyJFFANXXIOVCBBG-PYIPWEHNSA-N
Species of MetaboliteComponentSourceComments
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
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)
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)
tumonoic acid A (CHEBI:69207) has role metabolite (CHEBI:25212)
tumonoic acid A (CHEBI:69207) is a N-acyl-amino acid (CHEBI:51569)
Synonym  Source
1-[(2R,3S,4E)-3-Hydroxy-2,4-dimethyl-4-dodecenoyl]-L-prolineChEBI
Citations