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CHEBI:139987 - oscr#18(1−)

ChEBI IDCHEBI:139987
ChEBI Nameoscr#18(1−)
Stars
ASCII Nameoscr#18(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#18, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC17H31O6
Net Charge-1
Average Mass331.429
Monoisotopic Mass331.21261
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C17H32O6/c1-13-14(18)12-15(19)17(23-13)22-11-9-7-5-3-2-4-6-8-10-16(20)21/h13-15,17-19H,2-12H2,1H3,(H,20,21)/p-1/t13-,14+,15+,17+/m0/s1
InChIKeyGEMAYWCAMMUVTD-KLZNWCGWSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#18(1−) (CHEBI:139987) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#18(1−) (CHEBI:139987) is conjugate base of oscr#18 (CHEBI:79140)
Incoming Relation(s)
oscr#18 (CHEBI:79140) is conjugate acid of oscr#18(1−) (CHEBI:139987)
IUPAC Name 
11-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]undecanoate