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CHEBI:139995 - oscr#20(1−)

ChEBI IDCHEBI:139995
ChEBI Nameoscr#20(1−)
Stars
ASCII Nameoscr#20(1-)
DefinitionA hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#20, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC18H33O6
Net Charge-1
Average Mass345.456
Monoisotopic Mass345.22826
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C18H34O6/c1-14-15(19)13-16(20)18(24-14)23-12-10-8-6-4-2-3-5-7-9-11-17(21)22/h14-16,18-20H,2-13H2,1H3,(H,21,22)/p-1/t14-,15+,16+,18+/m0/s1
InChIKeyHTPFVTWQRWJPNG-BVIKNXMNSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#20(1−) (CHEBI:139995) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#20(1−) (CHEBI:139995) is conjugate base of oscr#20 (CHEBI:79142)
Incoming Relation(s)
oscr#20 (CHEBI:79142) is conjugate acid of oscr#20(1−) (CHEBI:139995)
Synonym  Source
12-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]dodecanoateChEBI