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CHEBI:134582 - (4S)-4,16-dihydroxyretinoic acid

ChEBI IDCHEBI:134582
ChEBI Name(4S)-4,16-dihydroxyretinoic acid
Stars
ASCII Name(4S)-4,16-dihydroxyretinoic acid
DefinitionA retinoid that is all-trans-retinoic acid which has been hydroxylated at the 4-pro-S position and at the 16 position.
Last Modified17 February 2017
SubmitterGareth Owen
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)CC[C@@H]1O
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+/t18-,20+/m0/s1
InChIKeyDGCPGJKPROZYMN-RGKDZJHZSA-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)
(4S)-4,16-dihydroxyretinoic acid (CHEBI:134582) has functional parent all-trans-4-hydroxyretinoic acid (CHEBI:63795)
(4S)-4,16-dihydroxyretinoic acid (CHEBI:134582) is a monocarboxylic acid (CHEBI:25384)
(4S)-4,16-dihydroxyretinoic acid (CHEBI:134582) is a primary alcohol (CHEBI:15734)
(4S)-4,16-dihydroxyretinoic acid (CHEBI:134582) is a retinoid (CHEBI:26537)
(4S)-4,16-dihydroxyretinoic acid (CHEBI:134582) is a secondary allylic alcohol (CHEBI:134396)
(4S)-4,16-dihydroxyretinoic acid (CHEBI:134582) is conjugate acid of (4S)-4,16-dihydroxyretinoate (CHEBI:134233)
Incoming Relation(s)
(4S)-4,16-dihydroxyretinoate (CHEBI:134233) is conjugate base of (4S)-4,16-dihydroxyretinoic acid (CHEBI:134582)
IUPAC Name 
(4S)-4,16-dihydroxyretinoic acid
Synonym  Source
all-trans-(4S,16)-dihydroxyretinoic acidChEBI
Citations