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CHEBI:139621 - ascr#12(1−)

ChEBI IDCHEBI:139621
ChEBI Nameascr#12(1−)
Stars
ASCII Nameascr#12(1-)
DefinitionA monocarboxylic acid anion that is conjugate base of ascr#12 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Last Modified24 January 2024
SubmitterMichael Witting
DownloadsMolfile
FormulaC12H21O6
Net Charge-1
Average Mass261.294
Monoisotopic Mass261.13436
SMILESC[C@H](CCCC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C12H22O6/c1-7(4-3-5-11(15)16)17-12-10(14)6-9(13)8(2)18-12/h7-10,12-14H,3-6H2,1-2H3,(H,15,16)/p-1/t7-,8+,9-,10-,12-/m1/s1
InChIKeyLGGOKKRYYYYXPA-VEOFNUSFSA-M
ChEBI Ontology
Outgoing Relation(s)
ascr#12(1−) (CHEBI:139621) is a monocarboxylic acid anion (CHEBI:35757)
ascr#12(1−) (CHEBI:139621) is conjugate base of ascr#12 (CHEBI:78841)
Incoming Relation(s)
icas#12(1−) (CHEBI:229462) has functional parent ascr#12(1−) (CHEBI:139621)
ascr#12 (CHEBI:78841) is conjugate acid of ascr#12(1−) (CHEBI:139621)
IUPAC Name 
(5R)-5-[(3,6-dideoxy-α-L-arabino-hexopyranosyl)oxy]hexanoate
Synonyms  Source
ascr#12 anionChEBI
asc-C6(1−)ChEBI
asc-C6 anionChEBI