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CHEBI:139960 - bkos#9

ChEBI IDCHEBI:139960
ChEBI Namebkos#9
Stars
DefinitionAn ω-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 5-hydroxy-3-oxopentanoic acid with ascarylopyranose (the α anomer).
Last Modified16 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC11H18O7
Net Charge0
Average Mass262.258
Monoisotopic Mass262.10525
SMILESC[C@@H]1O[C@@H](OCCC(=O)CC(=O)O)[C@H](O)C[C@H]1O
InChIInChI=1S/C11H18O7/c1-6-8(13)5-9(14)11(18-6)17-3-2-7(12)4-10(15)16/h6,8-9,11,13-14H,2-5H2,1H3,(H,15,16)/t6-,8+,9+,11+/m0/s1
InChIKeyXKFOFXRCSUBDPV-YXYNTAJPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
semiochemical  A molecular messenger released by an organism that affects the behaviour within or between species.
ChEBI Ontology
Outgoing Relation(s)
bkos#9 (CHEBI:139960) is a 3-oxo monocarboxylic acid (CHEBI:47881)
bkos#9 (CHEBI:139960) is a ω-hydroxy fatty acid ascaroside (CHEBI:79204)
bkos#9 (CHEBI:139960) is conjugate acid of bkos#9(1−) (CHEBI:139961)
Incoming Relation(s)
bkos#9-CoA (CHEBI:139962) has functional parent bkos#9 (CHEBI:139960)
bkos#9(1−) (CHEBI:139961) is conjugate base of bkos#9 (CHEBI:139960)
IUPAC Name 
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoic acid