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CHEBI:140016 - oscr#27(1−)

ChEBI IDCHEBI:140016
ChEBI Nameoscr#27(1−)
Stars
ASCII Nameoscr#27(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#27, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC22H39O6
Net Charge-1
Average Mass399.548
Monoisotopic Mass399.27521
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCC/C=C/C(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C22H40O6/c1-18-19(23)17-20(24)22(28-18)27-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21(25)26/h13,15,18-20,22-24H,2-12,14,16-17H2,1H3,(H,25,26)/p-1/b15-13+/t18-,19+,20+,22+/m0/s1
InChIKeyBEKLYIAFACFFDO-UPBMBJRSSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#27(1−) (CHEBI:140016) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#27(1−) (CHEBI:140016) is conjugate base of oscr#27 (CHEBI:79149)
Incoming Relation(s)
oscr#27 (CHEBI:79149) is conjugate acid of oscr#27(1−) (CHEBI:140016)
IUPAC Name 
(2E)-16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadec-2-enoate