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CHEBI:140801 - icas#10(1−)

ChEBI IDCHEBI:140801
ChEBI Nameicas#10(1−)
Stars
ASCII Nameicas#10(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of icas#10 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Secondary ChEBI IDCHEBI:166984
Last Modified24 January 2024
SubmitterKristian Axelsen, Michael Witting
DownloadsMolfile
FormulaC24H32NO7
Net Charge-1
Average Mass446.520
Monoisotopic Mass446.21843
SMILESC[C@H](CCCCCCC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2cnc3ccccc23)C[C@H]1O
InChIInChI=1S/C24H33NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h7-8,10-11,14-16,20-21,24-26H,3-6,9,12-13H2,1-2H3,(H,27,28)/p-1/t15-,16+,20-,21-,24-/m1/s1
InChIKeyVGNCAEIQHDZOLI-JTCUFRKPSA-M
ChEBI Ontology
Outgoing Relation(s)
icas#10(1−) (CHEBI:140801) has functional parent ascr#10(1−) (CHEBI:139615)
icas#10(1−) (CHEBI:140801) is a monocarboxylic acid anion (CHEBI:35757)
icas#10(1−) (CHEBI:140801) is conjugate base of icas#10 (CHEBI:79029)
Incoming Relation(s)
icas#10 (CHEBI:79029) is conjugate acid of icas#10(1−) (CHEBI:140801)
IUPAC Name 
(8R)-8-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}nonanoate
Synonyms  Source
IC-asc-C9(1−)ChEBI
icas#10 anionChEBI
UniProt Name  Source
IC-asc-C9UniProt
Citations