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CHEBI:26536 - retinoic acid

ChEBI IDCHEBI:26536
ChEBI Nameretinoic acid
Stars
DefinitionA retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).
Last Modified24 February 2016
DownloadsMolfile
FormulaC20H28O2
Net Charge0
Average Mass300.442
Monoisotopic Mass300.20893
SMILESCC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O
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)
InChIKeySHGAZHPCJJPHSC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24506204)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
retinoic acid (CHEBI:26536) has role human metabolite (CHEBI:77746)
retinoic acid (CHEBI:26536) is a retinoid (CHEBI:26537)
retinoic acid (CHEBI:26536) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
retinoic acid (CHEBI:26536) is conjugate acid of retinoate (CHEBI:15036)
Incoming Relation(s)
all-trans-retinoic acid (CHEBI:15367) is a retinoic acid (CHEBI:26536)
11-cis-retinoic acid (CHEBI:46856) is a retinoic acid (CHEBI:26536)
9-cis-retinoic acid (CHEBI:50648) is a retinoic acid (CHEBI:26536)
isotretinoin (CHEBI:6067) is a retinoic acid (CHEBI:26536)
retinoate (CHEBI:15036) is conjugate base of retinoic acid (CHEBI:26536)
IUPAC Name 
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
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Citations