CHEBI:52229 - (3S)-all-trans-3-hydroxyretinal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S)-all-trans-3-hydroxyretinal
ChEBI ID CHEBI:52229
ChEBI ASCII Name (3S)-all-trans-3-hydroxyretinal
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C20H28O2
Net Charge 0
Average Mass 300.43510
Monoisotopic Mass 300.20893
InChI InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18-/m0/s1
InChIKey QPRQNCDEPWLQRO-IRVDFSNZSA-N
SMILES [H]C(=O)\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@H](O)CC1(C)C
ChEBI Ontology
Outgoing (3S)-all-trans-3-hydroxyretinal (CHEBI:52229) has functional parent all-trans-retinal (CHEBI:17898)
(3S)-all-trans-3-hydroxyretinal (CHEBI:52229) is a retinoid (CHEBI:26537)
IUPAC Names
(2E,4E,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal
(3S)-all-trans-3-hydroxyretinal
Synonym Source
(+)-(S)-all-trans-3-hydroxyretinal ChEBI
Last Modified
17 October 2009