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CHEBI:139614 - ascr#1(1−)

Default Structure
ChEBI IDCHEBI:139614
ChEBI Nameascr#1(1−)
Stars
ASCII Nameascr#1(1-)
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the carboxy group of ascr#1. The conjugate base of ascr#1 and the major species at pH 7.3.
Last Modified24 January 2024
SubmitterMichael Witting
DownloadsMolfile
FormulaC13H23O6
Net Charge-1
Average Mass275.321
Monoisotopic Mass275.15001
SMILESC[C@H](CCCCC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C13H24O6/c1-8(5-3-4-6-12(16)17)18-13-11(15)7-10(14)9(2)19-13/h8-11,13-15H,3-7H2,1-2H3,(H,16,17)/p-1/t8-,9+,10-,11-,13-/m1/s1
InChIKeyKBTQMAFDKPKMEJ-UYNYGYNWSA-M
ChEBI Ontology
Outgoing Relation(s)
ascr#1(1−) (CHEBI:139614) is a monocarboxylic acid anion (CHEBI:35757)
ascr#1(1−) (CHEBI:139614) is conjugate base of ascr#1 (CHEBI:78786)
Incoming Relation(s)
icas#1(1−) (CHEBI:140800) has functional parent ascr#1(1−) (CHEBI:139614)
ascr#1 (CHEBI:78786) is conjugate acid of ascr#1(1−) (CHEBI:139614)
IUPAC Name 
(6R)-6-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]heptanoate
Synonyms  Source
asc-C7(1−)ChEBI
asc-C7 anionChEBI
ascr#1 anionChEBI