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CHEBI:140050 - oscr#38(1−)

ChEBI IDCHEBI:140050
ChEBI Nameoscr#38(1−)
Stars
ASCII Nameoscr#38(1-)
DefinitionA hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#38. The conjugate base of oscr#38 and the major species at pH 7.3.
Last Modified2 March 2018
SubmitterMichael Witting
DownloadsMolfile
FormulaC27H51O6
Net Charge-1
Average Mass471.699
Monoisotopic Mass471.36911
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCCC(=O)[O-])[C@H](O)C[C@H]1O
InChIInChI=1S/C27H52O6/c1-23-24(28)22-25(29)27(33-23)32-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-26(30)31/h23-25,27-29H,2-22H2,1H3,(H,30,31)/p-1/t23-,24+,25+,27+/m0/s1
InChIKeyQTWKPFXARCNFRK-AMBDWCSGSA-M
ChEBI Ontology
Outgoing Relation(s)
oscr#38(1−) (CHEBI:140050) is a hydroxy fatty acid ascaroside anion (CHEBI:140307)
oscr#38(1−) (CHEBI:140050) is conjugate base of oscr#38 (CHEBI:79160)
Incoming Relation(s)
oscr#38 (CHEBI:79160) is conjugate acid of oscr#38(1−) (CHEBI:140050)
IUPAC Name 
21-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]henicosanoate