CHEBI:140001 - oscr#22(1−)

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ChEBI Name oscr#22(1−)
ChEBI ID CHEBI:140001
ChEBI ASCII Name oscr#22(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
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Formula C19H35O6
Net Charge -1
Average Mass 359.478
Monoisotopic Mass 359.24391
InChI InChI=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
InChIKey BMAOWSPJJLOKGM-DODZYUBVSA-M
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC([O-])=O
ChEBI Ontology
Outgoing 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 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
Last Modified
02 March 2018