CHEBI:140016 - oscr#27(1−)

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ChEBI Name oscr#27(1−)
ChEBI ID CHEBI:140016
ChEBI ASCII Name oscr#27(1-)
Definition A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#27, 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 C22H39O6
Net Charge -1
Average Mass 399.542
Monoisotopic Mass 399.27521
InChI InChI=1S/C22H40O6/c1-18-19(23)17-20(24)22(28-18)27-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-21(25)26/h13,15,18-20,22-24H,2-12,14,16-17H2,1H3,(H,25,26)/p-1/b15-13+/t18-,19+,20+,22+/m0/s1
InChIKey BEKLYIAFACFFDO-UPBMBJRSSA-M
SMILES [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCC/C=C/C([O-])=O
ChEBI Ontology
Outgoing oscr#27(1−) (CHEBI:140016) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#27(1−) (CHEBI:140016) is conjugate base of oscr#27 (CHEBI:79149)
Incoming oscr#27 (CHEBI:79149) is conjugate acid of oscr#27(1−) (CHEBI:140016)
IUPAC Name
(2E)-16-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexadec-2-enoate
Last Modified
02 March 2018