EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:35291 - all-trans-retinoate

ChEBI IDCHEBI:35291
ChEBI Nameall-trans-retinoate
Stars
ASCII Nameall-trans-retinoate
DefinitionA retinoate that is the conjugate base of all-trans-retinoic acid.
Secondary ChEBI IDCHEBI:26535
Last Modified28 July 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H27O2
Net Charge-1
Average Mass299.434
Monoisotopic Mass299.20165
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1
InChIInChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+
InChIKeySHGAZHPCJJPHSC-YCNIQYBTSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
all-trans-retinoate (CHEBI:35291) has role human metabolite (CHEBI:77746)
all-trans-retinoate (CHEBI:35291) is a retinoate (CHEBI:15036)
all-trans-retinoate (CHEBI:35291) is conjugate base of all-trans-retinoic acid (CHEBI:15367)
Incoming Relation(s)
all-trans-3,4-didehydroretinoate(1−) (CHEBI:132260) has functional parent all-trans-retinoate (CHEBI:35291)
all-trans-retinoic acid (CHEBI:15367) is conjugate acid of all-trans-retinoate (CHEBI:35291)
IUPAC Name 
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
Synonyms  Source
all-trans-RetinoateKEGG COMPOUND
RetinoateKEGG COMPOUND
UniProt Name  Source
all-trans-retinoateUniProt
Manual XrefsDatabases
RETINOATEMetaCyc