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CHEBI:139261 - all-trans-4,18-dihydroxyretinoic acid

ChEBI IDCHEBI:139261
ChEBI Nameall-trans-4,18-dihydroxyretinoic acid
Stars
ASCII Nameall-trans-4,18-dihydroxyretinoic acid
DefinitionA retinoid that consists of all-trans-retinoic acid bearing two hydroxy substituents at positions 4 and 18.
Last Modified7 February 2018
Submitternhn
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCC(/C=C/C1=C(CO)C(O)CCC1(C)C)=C\C=C\C(C)=C\C(=O)O
InChIInChI=1S/C20H28O4/c1-14(6-5-7-15(2)12-19(23)24)8-9-17-16(13-21)18(22)10-11-20(17,3)4/h5-9,12,18,21-22H,10-11,13H2,1-4H3,(H,23,24)/b7-5+,9-8+,14-6+,15-12+
InChIKeyUNNCFEGUDGBPCH-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-4,18-dihydroxyretinoic acid (CHEBI:139261) has functional parent all-trans-retinoic acid (CHEBI:15367)
all-trans-4,18-dihydroxyretinoic acid (CHEBI:139261) is a dihydroxy monocarboxylic acid (CHEBI:35972)
all-trans-4,18-dihydroxyretinoic acid (CHEBI:139261) is a retinoid (CHEBI:26537)
all-trans-4,18-dihydroxyretinoic acid (CHEBI:139261) is a secondary allylic alcohol (CHEBI:134396)
all-trans-4,18-dihydroxyretinoic acid (CHEBI:139261) is conjugate acid of all-trans-4,18-dihydroxyretinoate (CHEBI:139262)
Incoming Relation(s)
all-trans-4,18-dihydroxyretinoate (CHEBI:139262) is conjugate base of all-trans-4,18-dihydroxyretinoic acid (CHEBI:139261)
IUPAC Name 
(2E,4E,6E,8E)-9-[3-hydroxy-2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Synonyms  Source
4,18-dihydroxy-all-trans-retinoic acidChEBI
4,18-dihydroxyretinoic acidChEBI
Citations