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CHEBI:140022 - oscr#29(1−)

ChEBI IDCHEBI:140022
ChEBI Nameoscr#29(1−)
Stars
ASCII Nameoscr#29(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#29, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC23H41O6
Net Charge-1
Average Mass413.575
Monoisotopic Mass413.29086
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C23H42O6/c1-19-20(24)18-21(25)23(29-19)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(26)27/h14,16,19-21,23-25H,2-13,15,17-18H2,1H3,(H,26,27)/p-1/b16-14+/t19-,20+,21+,23+/m0/s1
InChIKeyHJPCXYKWUOGDSW-KRSIWRBNSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#29(1−) (CHEBI:140022) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#29(1−) (CHEBI:140022) is conjugate base of oscr#29 (CHEBI:79151)
Incoming Relation(s)
oscr#29 (CHEBI:79151) is conjugate acid of oscr#29(1−) (CHEBI:140022)
IUPAC Name 
(2E)-17-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptadec-2-enoate