CHEBI:140800 - icas#1(1−)

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ChEBI Name icas#1(1−)
ChEBI ID CHEBI:140800
ChEBI ASCII Name icas#1(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Michael Witting
Kristian Axelsen
Secondary ChEBI IDs CHEBI:166981
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Formula C22H28NO7
Net Charge -1
Average Mass 418.467
Monoisotopic Mass 418.18713
InChI InChI=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
InChIKey YRHZEQFAUQVVIS-FAVIALCLSA-M
SMILES C[C@H](CCCCC([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#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 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 Sources
IC-asc-C7 UniProt
IC-asc-C7 anion ChEBI
IC-asc-C7(1−) ChEBI
icas#1 anion ChEBI
Citation Waiting for Citations Type Source
29863473 PubMed citation SUBMITTER
Last Modified
24 January 2024