CHEBI:140029 - oscr#31(1−)

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ChEBI Name oscr#31(1−)
ChEBI ID CHEBI:140029
ChEBI ASCII Name oscr#31(1-)
Definition A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#31, 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 ZINC000015112771
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Formula C24H43O6
Net Charge -1
Average Mass 427.596
Monoisotopic Mass 427.30651
InChI InChI=1S/C24H44O6/c1-20-21(25)19-22(26)24(30-20)29-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-23(27)28/h15,17,20-22,24-26H,2-14,16,18-19H2,1H3,(H,27,28)/p-1/b17-15+/t20-,21+,22+,24+/m0/s1
InChIKey VXOVWFJOWNESCS-PGYXGQNHSA-M
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCC/C=C/C([O-])=O
ChEBI Ontology
Outgoing oscr#31(1−) (CHEBI:140029) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#31(1−) (CHEBI:140029) is conjugate base of oscr#31 (CHEBI:79153)
Incoming oscr#31 (CHEBI:79153) is conjugate acid of oscr#31(1−) (CHEBI:140029)
IUPAC Name
(2E)-18-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]octadec-2-enoate
Last Modified
02 March 2018