EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140010 - oscr#25(1−)

ChEBI IDCHEBI:140010
ChEBI Nameoscr#25(1−)
Stars
ASCII Nameoscr#25(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#25, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC21H37O6
Net Charge-1
Average Mass385.521
Monoisotopic Mass385.25956
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C21H38O6/c1-17-18(22)16-19(23)21(27-17)26-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20(24)25/h12,14,17-19,21-23H,2-11,13,15-16H2,1H3,(H,24,25)/p-1/b14-12+/t17-,18+,19+,21+/m0/s1
InChIKeyFOEYOFVRRORADU-KMIVUYPQSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#25(1−) (CHEBI:140010) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#25(1−) (CHEBI:140010) is conjugate base of oscr#25 (CHEBI:79147)
Incoming Relation(s)
oscr#25 (CHEBI:79147) is conjugate acid of oscr#25(1−) (CHEBI:140010)
IUPAC Name 
(2E)-15-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]pentadec-2-enoate