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CHEBI:139256 - all-trans-16-hydroxyretinoic acid

ChEBI IDCHEBI:139256
ChEBI Nameall-trans-16-hydroxyretinoic acid
Stars
ASCII Nameall-trans-16-hydroxyretinoic acid
DefinitionA retinoid that consists of all-trans-retinoic acid bearing an hydroxy substituent at position 16.
Last Modified6 February 2018
Submitternhn
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)(CO)CCC1
InChIInChI=1S/C20H28O3/c1-15(7-5-8-16(2)13-19(22)23)10-11-18-17(3)9-6-12-20(18,4)14-21/h5,7-8,10-11,13,21H,6,9,12,14H2,1-4H3,(H,22,23)/b8-5+,11-10+,15-7+,16-13+
InChIKeyGIEPJVBJRPHMTO-FCKHSPHMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
all-trans-16-hydroxyretinoic acid (CHEBI:139256) has functional parent all-trans-retinoic acid (CHEBI:15367)
all-trans-16-hydroxyretinoic acid (CHEBI:139256) is a hydroxy monocarboxylic acid (CHEBI:35868)
all-trans-16-hydroxyretinoic acid (CHEBI:139256) is a retinoid (CHEBI:26537)
all-trans-16-hydroxyretinoic acid (CHEBI:139256) is conjugate acid of all-trans-16-hydroxyretinoate (CHEBI:139257)
Incoming Relation(s)
all-trans-16-hydroxyretinoate (CHEBI:139257) is conjugate base of all-trans-16-hydroxyretinoic acid (CHEBI:139256)
IUPAC Name 
(2E,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Synonyms  Source
16-hydroxyretinoic acidChEBI
16-hydroxy-all-trans-retinoic acidChEBI