CHEBI:69208 - tumonoic acid B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tumonoic acid B
ChEBI ID CHEBI:69208
Definition A natural product found particularly in Oscillatoria margaritifera and Oscillatoria margaritifera.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H47NO8
Net Charge 0
Average Mass 525.67470
Monoisotopic Mass 525.33017
InChI InChI=1S/C28H47NO8/c1-7-9-10-11-12-13-15-19(4)23(30)20(5)25(31)29-17-14-16-22(29)27(34)37-24(18(3)8-2)28(35)36-21(6)26(32)33/h15,18,20-24,30H,7-14,16-17H2,1-6H3,(H,32,33)/b19-15+/t18-,20+,21-,22-,23+,24+/m0/s1
InChIKey HYPDCGGBAFGHKA-JILBMGCCSA-N
SMILES CCCCCCC\C=C(/C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@H]([C@@H](C)CC)C(=O)O[C@@H](C)C(O)=O
Metabolite of Species Details
Oscillatoria margaritifera (NCBI:txid748017) Extracted with CHCl2/MeOH (2:1) of strain NAC8 46 See: PubMed
Oscillatoria margaritifera (NCBI:txid748017) Extracted with CHCl2/MeOH (2:1) of strain NAC8 45 See: PubMed
Oscillatoria margaritifera NAC8-54 (NCBI:txid748039) Extracted with CHCl2/MeOH (2:1) See: PubMed
Oscillatoria margaritifera NAC8-55 (NCBI:txid748040) Extracted with CHCl2/MeOH (2:1) 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 tumonoic acid B (CHEBI:69208) has role metabolite (CHEBI:25212)
tumonoic acid B (CHEBI:69208) is a depsipeptide (CHEBI:23643)
Synonym Source
(2S)-2-[(2R,3S)-2-[(2S)-1-[(E,2R,3S)-3-hydroxy-2,4-dimethyldodec-4-enoyl]pyrrolidine-2-carbonyl]oxy-3-methylpentanoyl]oxypropanoic acid ChEBI
Citation Waiting for Citations Type Source
21751786 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:N-acyl-amino acid(CHEBI:51569); ISA:alpha-amino acid ester(CHEBI:46874); ISA:carbonyl compound(CHEBI:36586); ISA:pyrrolidinecarboxylic acid(CHEBI:46767); ISA:carboxylic acid(CHEBI:33575); ISA:N-acylpyrrolidine(CHEBI:46766); ISA:fatty acid ester(CHEBI:35748); ISA:fatty amide(CHEBI:29348); ISA:amino alcohol(CHEBI:22478); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:ether(CHEBI:25698);