EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:194183 - all-trans-13,14-dihydroretinoate

ChEBI IDCHEBI:194183
ChEBI Nameall-trans-13,14-dihydroretinoate
Stars
ASCII Nameall-trans-13,14-dihydroretinoate
DefinitionA retinoid anion that is the conjugate base of all-trans-13,14-dihydroretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified5 January 2023
Submitterlaimo
DownloadsMolfile
FormulaC20H29O2
Net Charge-1
Average Mass301.450
Monoisotopic Mass301.21730
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)CC(=O)[O-])C(C)(C)CCC1
InChIInChI=1S/C20H30O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,16H,7,10,13-14H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+
InChIKeyXTOYXKSKSDVOOD-CISKFWAASA-M
ChEBI Ontology
Outgoing Relation(s)
all-trans-13,14-dihydroretinoate (CHEBI:194183) is a monocarboxylic acid anion (CHEBI:35757)
all-trans-13,14-dihydroretinoate (CHEBI:194183) is a retinoid anion (CHEBI:139589)
all-trans-13,14-dihydroretinoate (CHEBI:194183) is conjugate base of all-trans-13,14-dihydroretinoic acid (CHEBI:194189)
Incoming Relation(s)
4-hydroxy-all-trans-13,14-dihydroretinoate (CHEBI:194478) has functional parent all-trans-13,14-dihydroretinoate (CHEBI:194183)
4-keto-all-trans-13,14-dihydroretinoic acid anion(1−) (CHEBI:194184) has functional parent all-trans-13,14-dihydroretinoate (CHEBI:194183)
all-trans-13,14-dihydroretinoic acid (CHEBI:194189) is conjugate acid of all-trans-13,14-dihydroretinoate (CHEBI:194183)
IUPAC Name 
15-oxido-13,14-dihydroretinal
Synonyms  Source
all-trans-13,14-dihydroretinoic acid(1−)ChEBI
all-trans-13,14-dihydroretinoic acid anionChEBI
(4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-4,6,8-trienoateIUPAC
UniProt Name  Source
all-trans-13,14-dihydroretinoateUniProt
Citations