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CHEBI:204606 - 4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone

Default Structure
ChEBI IDCHEBI:204606
ChEBI Name4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O5
Net Charge0
Average Mass244.287
Monoisotopic Mass244.13107
SMILESCCC(CC(O)CC[C@H]1OC(=O)[C@@H]1C)OC=O
InChIInChI=1S/C12H20O5/c1-3-10(16-7-13)6-9(14)4-5-11-8(2)12(15)17-11/h7-11,14H,3-6H2,1-2H3/t8-,9?,10?,11-/m1/s1
InChIKeyHEFSTVOGSQECQI-AGVGLQIMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies T1B1 (ncbitaxon:1285899) - DOI (10.1016/j.phytol.2013.08.007)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4alpha-(3-methyl-4-formyloxy-heptyl)-3alpha-methyl-2-oxetanone (CHEBI:204606) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[5-hydroxy-7-[(2R,3R)-3-methyl-4-oxooxetan-2-yl]heptan-3-yl] ormate
Manual XrefsDatabases
78441003ChemSpider