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CHEBI:139258 - all-trans-18-hydroxyretinoate

Default Structure
ChEBI IDCHEBI:139258
ChEBI Nameall-trans-18-hydroxyretinoate
Stars
ASCII Nameall-trans-18-hydroxyretinoate
DefinitionA retinoid anion that is the conjugate base of all-trans-18-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H27O3
Net Charge-1
Average Mass315.433
Monoisotopic Mass315.19657
SMILESCC(/C=C/C1=C(CO)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]
InChIInChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(14-21)9-6-12-20(18,3)4/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/p-1/b8-5+,11-10+,15-7+,16-13+
InChIKeyXSJOIRFEYHJNAW-FCKHSPHMSA-M
ChEBI Ontology
Outgoing Relation(s)
all-trans-18-hydroxyretinoate (CHEBI:139258) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
all-trans-18-hydroxyretinoate (CHEBI:139258) is a retinoid anion (CHEBI:139589)
all-trans-18-hydroxyretinoate (CHEBI:139258) is conjugate base of all-trans-18-hydroxyretinoic acid (CHEBI:80657)
Incoming Relation(s)
all-trans-18-hydroxyretinoic acid (CHEBI:80657) is conjugate acid of all-trans-18-hydroxyretinoate (CHEBI:139258)
IUPAC Name 
(2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoate
Synonyms  Source
18-hydroxy-all-trans-retinoateSUBMITTER
18-hydroxyretinoateChEBI
UniProt Name  Source
all-trans-18-hydroxyretinoateUniProt
Citations