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CHEBI:139984 - oscr#17(1−)

ChEBI IDCHEBI:139984
ChEBI Nameoscr#17(1−)
Stars
ASCII Nameoscr#17(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#17, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC17H29O6
Net Charge-1
Average Mass329.413
Monoisotopic Mass329.19696
SMILESC[C@@H]1O[C@@H](OCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C17H30O6/c1-13-14(18)12-15(19)17(23-13)22-11-9-7-5-3-2-4-6-8-10-16(20)21/h8,10,13-15,17-19H,2-7,9,11-12H2,1H3,(H,20,21)/p-1/b10-8+/t13-,14+,15+,17+/m0/s1
InChIKeyFDWVWTCEWSMDGI-DSKDDBFVSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#17(1−) (CHEBI:139984) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#17(1−) (CHEBI:139984) is conjugate base of oscr#17 (CHEBI:79139)
Incoming Relation(s)
oscr#17 (CHEBI:79139) is conjugate acid of oscr#17(1−) (CHEBI:139984)
IUPAC Name 
(2E)-11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]undec-2-enoate