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CHEBI:139346 - all-trans-4-hydroxyretinal

Default Structure
ChEBI IDCHEBI:139346
ChEBI Nameall-trans-4-hydroxyretinal
Stars
ASCII Nameall-trans-4-hydroxyretinal
DefinitionA retinoid that is all-trans-retinal carrying a hydroxy substituent at position 4 on the cyclohexenyl ring.
Last Modified12 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILES[H]C(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(O)CCC1(C)C
InChIInChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14,19,22H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
InChIKeyCYVVUYORRQQAQE-RMWYGNQTSA-N
Species of MetaboliteComponentSourceComments
Watasenia scintillans (ncbitaxon:6625) - PubMed (3416013)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
all-trans-4-hydroxyretinal (CHEBI:139346) has functional parent all-trans-retinal (CHEBI:17898)
all-trans-4-hydroxyretinal (CHEBI:139346) has role marine metabolite (CHEBI:76507)
all-trans-4-hydroxyretinal (CHEBI:139346) is a enal (CHEBI:51688)
all-trans-4-hydroxyretinal (CHEBI:139346) is a retinoid (CHEBI:26537)
all-trans-4-hydroxyretinal (CHEBI:139346) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
Synonym  Source
4-hydroxyretinalChEBI
UniProt Name  Source
all-trans-4-hydroxyretinalUniProt
Registry NumbersSources
Reaxys:2508354Reaxys
Citations