EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139961 - bkos#9(1−)

ChEBI IDCHEBI:139961
ChEBI Namebkos#9(1−)
Stars
ASCII Namebkos#9(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of bkos#9, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified16 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC11H17O7
Net Charge-1
Average Mass261.250
Monoisotopic Mass261.09798
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)/p-1/t6-,8+,9+,11+/m0/s1
InChIKeyXKFOFXRCSUBDPV-YXYNTAJPSA-M
ChEBI Ontology
Outgoing Relation(s)
bkos#9(1−) (CHEBI:139961) is a 3-oxo monocarboxylic acid anion (CHEBI:35973)
bkos#9(1−) (CHEBI:139961) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
bkos#9(1−) (CHEBI:139961) is conjugate base of bkos#9 (CHEBI:139960)
Incoming Relation(s)
bkos#9 (CHEBI:139960) is conjugate acid of bkos#9(1−) (CHEBI:139961)
IUPAC Name 
5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]-3-oxopentanoate