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all-trans-retinoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_35291

A retinoate that is the conjugate base of all-trans-retinoic acid.

Term info

Label

all-trans-retinoate

Synonyms
  • (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
  • all-trans-Retinoate
  • all-trans-retinoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate [ IUPAC ]

charge

-1

formula

C20H27O2

has alternative id

CHEBI:26535

has obo namespace

chebi_ontology

id

CHEBI:35291

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

mass

299.42718

monoisotopicmass

299.20165

smiles

CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O