EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140007 - oscr#24(1−)

ChEBI IDCHEBI:140007
ChEBI Nameoscr#24(1−)
Stars
ASCII Nameoscr#24(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#24, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC20H37O6
Net Charge-1
Average Mass373.510
Monoisotopic Mass373.25956
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C20H38O6/c1-16-17(21)15-18(22)20(26-16)25-14-12-10-8-6-4-2-3-5-7-9-11-13-19(23)24/h16-18,20-22H,2-15H2,1H3,(H,23,24)/p-1/t16-,17+,18+,20+/m0/s1
InChIKeyODXIHYQVXXYLQK-JRBPQWBISA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#24(1−) (CHEBI:140007) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#24(1−) (CHEBI:140007) is conjugate base of oscr#24 (CHEBI:79146)
Incoming Relation(s)
oscr#24 (CHEBI:79146) is conjugate acid of oscr#24(1−) (CHEBI:140007)
IUPAC Name 
14-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tetradecanoate