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CHEBI:140800 - icas#1(1−)

ChEBI IDCHEBI:140800
ChEBI Nameicas#1(1−)
Stars
ASCII Nameicas#1(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of icas#1 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Secondary ChEBI IDCHEBI:166981
Last Modified24 January 2024
SubmitterKristian Axelsen, Michael Witting
DownloadsMolfile
FormulaC22H28NO7
Net Charge-1
Average Mass418.466
Monoisotopic Mass418.18713
SMILESC[C@H](CCCCC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2cnc3ccccc23)C[C@H]1O
InChIInChI=1S/C22H29NO7/c1-13(7-3-6-10-20(25)26)28-22-18(24)11-19(14(2)29-22)30-21(27)16-12-23-17-9-5-4-8-15(16)17/h4-5,8-9,12-14,18-19,22-24H,3,6-7,10-11H2,1-2H3,(H,25,26)/p-1/t13-,14+,18-,19-,22-/m1/s1
InChIKeyYRHZEQFAUQVVIS-FAVIALCLSA-M
ChEBI Ontology
Outgoing Relation(s)
icas#1(1−) (CHEBI:140800) has functional parent ascr#1(1−) (CHEBI:139614)
icas#1(1−) (CHEBI:140800) is a monocarboxylic acid anion (CHEBI:35757)
icas#1(1−) (CHEBI:140800) is conjugate base of icas#1 (CHEBI:79051)
Incoming Relation(s)
icas#1 (CHEBI:79051) is conjugate acid of icas#1(1−) (CHEBI:140800)
IUPAC Name 
(6R)-6-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-α-L-arabino-hexopyranosyl]oxy}heptanoate
Synonyms  Source
icas#1 anionChEBI
IC-asc-C7(1−)ChEBI
IC-asc-C7 anionChEBI
UniProt Name  Source
IC-asc-C7UniProt
Citations