EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:136730 - (S)-all-trans-4-hydroxyretinoic acid

ChEBI IDCHEBI:136730
ChEBI Name(S)-all-trans-4-hydroxyretinoic acid
Stars
ASCII Name(S)-all-trans-4-hydroxyretinoic acid
DefinitionAn all-trans-4-hydroxyretinoic acid in which the 4-hydroxy group has S-configuration.
Last Modified5 April 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC[C@@H]1O
InChIInChI=1S/C20H28O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13,18,21H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+/t18-/m0/s1
InChIKeyKGUMXGDKXYTTEY-CJJLNRCZSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (25492813)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(S)-all-trans-4-hydroxyretinoic acid (CHEBI:136730) has role human xenobiotic metabolite (CHEBI:76967)
(S)-all-trans-4-hydroxyretinoic acid (CHEBI:136730) is a all-trans-4-hydroxyretinoic acid (CHEBI:63795)
(S)-all-trans-4-hydroxyretinoic acid (CHEBI:136730) is conjugate acid of (S)-all-trans-4-hydroxyretinoate (CHEBI:134185)
Incoming Relation(s)
(S)-all-trans-4-hydroxyretinoate (CHEBI:134185) is conjugate base of (S)-all-trans-4-hydroxyretinoic acid (CHEBI:136730)
IUPAC Name 
(4S)-4-hydroxyretinoic acid
Synonyms  Source
(4S,7E,9E,11E,13E)-4-hydroxyretinoic acidChEBI
(4S)-OH-atRAChEBI
(S)-4-hydroxyretinoic acidChEBI
Registry NumbersSources
Reaxys:23145310Reaxys
Citations