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CHEBI:139263 - all-trans-4-oxo-16-hydroxyretinoic acid

ChEBI IDCHEBI:139263
ChEBI Nameall-trans-4-oxo-16-hydroxyretinoic acid
Stars
ASCII Nameall-trans-4-oxo-16-hydroxyretinoic acid
DefinitionA retinoid that consists of all-trans-retinoic acid carrying an oxo substituent at position 4 and a hydroxy substituent at position 16.
Last Modified7 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(CO)CCC1=O
InChIInChI=1S/C20H26O4/c1-14(6-5-7-15(2)12-19(23)24)8-9-17-16(3)18(22)10-11-20(17,4)13-21/h5-9,12,21H,10-11,13H2,1-4H3,(H,23,24)/b7-5+,9-8+,14-6+,15-12+
InChIKeyUWNJDGDPQWPMBF-ZMNXUKPGSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
all-trans-4-oxo-16-hydroxyretinoic acid (CHEBI:139263) has functional parent all-trans-retinoic acid (CHEBI:15367)
all-trans-4-oxo-16-hydroxyretinoic acid (CHEBI:139263) is a enone (CHEBI:51689)
all-trans-4-oxo-16-hydroxyretinoic acid (CHEBI:139263) is a hydroxy monocarboxylic acid (CHEBI:35868)
all-trans-4-oxo-16-hydroxyretinoic acid (CHEBI:139263) is a oxo monocarboxylic acid (CHEBI:35871)
all-trans-4-oxo-16-hydroxyretinoic acid (CHEBI:139263) is a retinoid (CHEBI:26537)
all-trans-4-oxo-16-hydroxyretinoic acid (CHEBI:139263) is conjugate acid of all-trans-4-oxo-16-hydroxyretinoate (CHEBI:139264)
Incoming Relation(s)
all-trans-4-oxo-16-hydroxyretinoate (CHEBI:139264) is conjugate base of all-trans-4-oxo-16-hydroxyretinoic acid (CHEBI:139263)
IUPAC Name 
(2E,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethyl-3-oxocyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Synonyms  Source
4-oxo-16-hydroxy-all-trans-retinoic acidChEBI
16-hydroxy-4-oxoretinoic acidChEBI
all-trans-16-hydroxy-4-oxoretinoic acidChEBI
4-oxo-16-hydroxyretinoic acidChEBI
16-hydroxy-4-oxo-all-trans-retinoic acidChEBI
Registry NumbersSources
Reaxys:4523986Reaxys
Citations