CHEBI:35291 - all-trans-retinoate

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ChEBI Name all-trans-retinoate
ChEBI ID CHEBI:35291
ChEBI ASCII Name all-trans-retinoate
Definition A retinoate that is the conjugate base of all-trans-retinoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:26535
Supplier Information
Download Molfile XML SDF
Formula C20H27O2
Net Charge -1
Average Mass 299.42718
Monoisotopic Mass 299.20165
InChI InChI=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+
InChIKey SHGAZHPCJJPHSC-YCNIQYBTSA-M
SMILES CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
all-trans-retinoate UniProt
all-trans-Retinoate KEGG COMPOUND
Retinoate KEGG COMPOUND
Manual Xref Database
C00777 KEGG COMPOUND
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Last Modified
24 February 2017