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CHEBI:228248 - gadusol(1−)

Default Structure
ChEBI IDCHEBI:228248
ChEBI Namegadusol(1−)
Stars
ASCII Namegadusol(1-)
DefinitionMajor species at pH 7.3
Last Modified4 January 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H11O6
Net Charge-1
Average Mass203.170
Monoisotopic Mass203.05611
SMILESCOC1=C([O-])[C@H](O)[C@](O)(CO)CC1=O
InChIInChI=1S/C8H12O6/c1-14-6-4(10)2-8(13,3-9)7(12)5(6)11/h7,9,11-13H,2-3H2,1H3/p-1/t7-,8+/m0/s1
InChIKeyKENOUOLPKKQXMX-JGVFFNPUSA-M
ChEBI Ontology
Outgoing Relation(s)
gadusol(1−) (CHEBI:228248) is a cyclitol (CHEBI:23451)
gadusol(1−) (CHEBI:228248) is a enolate (CHEBI:142839)
gadusol(1−) (CHEBI:228248) is conjugate base of gadusol (CHEBI:228373)
Incoming Relation(s)
gadusol (CHEBI:228373) is conjugate acid of gadusol(1−) (CHEBI:228248)
UniProt Name  Source
gadusolUniProt
Citations