EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140041 - oscr#35(1−)

ChEBI IDCHEBI:140041
ChEBI Nameoscr#35(1−)
Stars
ASCII Nameoscr#35(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#35, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC26H47O6
Net Charge-1
Average Mass455.656
Monoisotopic Mass455.33781
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C26H48O6/c1-22-23(27)21-24(28)26(32-22)31-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(29)30/h17,19,22-24,26-28H,2-16,18,20-21H2,1H3,(H,29,30)/p-1/b19-17+/t22-,23+,24+,26+/m0/s1
InChIKeyAIUNLQUMHTUTNR-YHGVQZPQSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#35(1−) (CHEBI:140041) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#35(1−) (CHEBI:140041) is conjugate base of oscr#35 (CHEBI:79157)
Incoming Relation(s)
oscr#35 (CHEBI:79157) is conjugate acid of oscr#35(1−) (CHEBI:140041)
IUPAC Name 
(2E)-20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icos-2-enoate