CHEBI:140804 - icas#9(1−)

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ChEBI Name icas#9(1−)
ChEBI ID CHEBI:140804
ChEBI ASCII Name icas#9(1-)
Definition A monocarboxylic acid anion that is the conjugate base of icas#9 resulting from the 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
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Formula C20H24NO7
Net Charge -1
Average Mass 390.413
Monoisotopic Mass 390.15583
InChI InChI=1S/C20H25NO7/c1-11(7-8-18(23)24)26-20-16(22)9-17(12(2)27-20)28-19(25)14-10-21-15-6-4-3-5-13(14)15/h3-6,10-12,16-17,20-22H,7-9H2,1-2H3,(H,23,24)/p-1/t11-,12+,16-,17-,20-/m1/s1
InChIKey GIZBXORWWXIWKX-VEZRURDRSA-M
SMILES C[C@H](CCC([O-])=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)C1=CNC2=C1C=CC=C2
ChEBI Ontology
Outgoing icas#9(1−) (CHEBI:140804) has functional parent ascr#9(1−) (CHEBI:139714)
icas#9(1−) (CHEBI:140804) is a monocarboxylic acid anion (CHEBI:35757)
icas#9(1−) (CHEBI:140804) is conjugate acid of icas#9 (CHEBI:79028)
Incoming icas#9 (CHEBI:79028) is conjugate base of icas#9(1−) (CHEBI:140804)
IUPAC Name
(4R)-4-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}pentanoate
Synonyms Sources
IC-asc-C5 anion ChEBI
IC-asc-C5(1−) ChEBI
icas#9 anion ChEBI
Last Modified
24 January 2024