EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:139260 - all-trans-4,16-dihydroxyretinoate

ChEBI IDCHEBI:139260
ChEBI Nameall-trans-4,16-dihydroxyretinoate
Stars
ASCII Nameall-trans-4,16-dihydroxyretinoate
DefinitionA retinoid anion that is the conjugate base of all-trans-4,16-dihydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H27O4
Net Charge-1
Average Mass331.432
Monoisotopic Mass331.19148
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(CO)CCC1O
InChIInChI=1S/C20H28O4/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/h5-9,12,18,21-22H,10-11,13H2,1-4H3,(H,23,24)/p-1/b7-5+,9-8+,14-6+,15-12+
InChIKeyDGCPGJKPROZYMN-ZMNXUKPGSA-M
ChEBI Ontology
Outgoing Relation(s)
all-trans-4,16-dihydroxyretinoate (CHEBI:139260) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
all-trans-4,16-dihydroxyretinoate (CHEBI:139260) is a retinoid anion (CHEBI:139589)
all-trans-4,16-dihydroxyretinoate (CHEBI:139260) is conjugate base of all-trans-4,16-dihydroxyretinoic acid (CHEBI:139259)
Incoming Relation(s)
all-trans-4,16-dihydroxyretinoic acid (CHEBI:139259) is conjugate acid of all-trans-4,16-dihydroxyretinoate (CHEBI:139260)
IUPAC Name 
(2E,4E,6E,8E)-9-[3-hydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoate
Synonyms  Source
4,16-dihydroxy-all-trans-retinoate(1−)SUBMITTER
4,16-dihydroxyretinoateChEBI
UniProt Name  Source
all-trans-4,16-dihydroxyretinoateUniProt
Citations