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CHEBI:139259 - all-trans-4,16-dihydroxyretinoic acid

ChEBI IDCHEBI:139259
ChEBI Nameall-trans-4,16-dihydroxyretinoic acid
Stars
ASCII Nameall-trans-4,16-dihydroxyretinoic acid
DefinitionA retinoid that consists of all-trans-retinoic acid bearing two hydroxy substituents at positions 4 and 16.
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(CO)CCC1O
InChIInChI=1S/C20H28O4/c1-14(6-5-7-15(2)12-19(23)24)8-9-17-16(3)18(22)10-11-20(17,4)13-21/h5-9,12,18,21-22H,10-11,13H2,1-4H3,(H,23,24)/b7-5+,9-8+,14-6+,15-12+
InChIKeyDGCPGJKPROZYMN-ZMNXUKPGSA-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-4,16-dihydroxyretinoic acid (CHEBI:139259) has functional parent all-trans-retinoic acid (CHEBI:15367)
all-trans-4,16-dihydroxyretinoic acid (CHEBI:139259) is a dihydroxy monocarboxylic acid (CHEBI:35972)
all-trans-4,16-dihydroxyretinoic acid (CHEBI:139259) is a retinoid (CHEBI:26537)
all-trans-4,16-dihydroxyretinoic acid (CHEBI:139259) is a secondary allylic alcohol (CHEBI:134396)
all-trans-4,16-dihydroxyretinoic acid (CHEBI:139259) is conjugate acid of all-trans-4,16-dihydroxyretinoate (CHEBI:139260)
Incoming Relation(s)
all-trans-4,16-dihydroxyretinoate (CHEBI:139260) is conjugate base of all-trans-4,16-dihydroxyretinoic acid (CHEBI:139259)
IUPAC Name 
(2E,4E,6E,8E)-9-[3-hydroxy-6-(hydroxymethyl)-2,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Synonyms  Source
4,16-dihydroxy-all-trans-retinoic acidChEBI
4,16-dihydroxyretinoic acidChEBI
Citations