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CHEBI:140001 - oscr#22(1−)

ChEBI IDCHEBI:140001
ChEBI Nameoscr#22(1−)
Stars
ASCII Nameoscr#22(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#22, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC19H35O6
Net Charge-1
Average Mass359.483
Monoisotopic Mass359.24391
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C19H36O6/c1-15-16(20)14-17(21)19(25-15)24-13-11-9-7-5-3-2-4-6-8-10-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23)/p-1/t15-,16+,17+,19+/m0/s1
InChIKeyBMAOWSPJJLOKGM-DODZYUBVSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#22(1−) (CHEBI:140001) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#22(1−) (CHEBI:140001) is conjugate base of oscr#22 (CHEBI:79144)
Incoming Relation(s)
oscr#22 (CHEBI:79144) is conjugate acid of oscr#22(1−) (CHEBI:140001)
IUPAC Name 
13-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]tridecanoate