CHEBI:140041 - oscr#35(1−)

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ChEBI Name oscr#35(1−)
ChEBI ID CHEBI:140041
ChEBI ASCII Name oscr#35(1-)
Definition A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#35, 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
Supplier Information No supplier information found for this compound.
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Formula C26H47O6
Net Charge -1
Average Mass 455.649
Monoisotopic Mass 455.33781
InChI InChI=1S/C26H48O6/c1-22-23(27)21-24(28)26(32-22)31-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-25(29)30/h17,19,22-24,26-28H,2-16,18,20-21H2,1H3,(H,29,30)/p-1/b19-17+/t22-,23+,24+,26+/m0/s1
InChIKey AIUNLQUMHTUTNR-YHGVQZPQSA-M
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCC/C=C/C([O-])=O
ChEBI Ontology
Outgoing oscr#35(1−) (CHEBI:140041) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#35(1−) (CHEBI:140041) is conjugate base of oscr#35 (CHEBI:79157)
Incoming oscr#35 (CHEBI:79157) is conjugate acid of oscr#35(1−) (CHEBI:140041)
IUPAC Name
(2E)-20-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]icos-2-enoate
Last Modified
02 March 2018