CHEBI:156173 - 19-Hydroky-all-trans-retinoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 19-Hydroky-all-trans-retinoic acid
ChEBI ID CHEBI:156173
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C20H28O3
Net Charge 0
Average Mass 316.441
Monoisotopic Mass 316.20384
InChI InChI=1S/C20H28O3/c1-15(13-19(22)23)7-5-9-17(14-21)10-11-18-16(2)8-6-12-20(18,3)4/h5,7,9-11,13,21H,6,8,12,14H2,1-4H3,(H,22,23)/b7-5+,11-10+,15-13+,17-9-
InChIKey QZKISTBYGXZBOE-JHYVTPCUSA-N
SMILES OC\C(\C=C\C=1C(CCCC1C)(C)C)=C/C=C/C(/C)=C/C(O)=O
ChEBI Ontology
Outgoing 19-Hydroky-all-trans-retinoic acid (CHEBI:156173) is a retinoid (CHEBI:26537)
IUPAC Name
(2E,4E,6Z,8E)-7-(hydroxymethyl)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Manual Xref Database
LMPR01090028 LIPID MAPS
View more database links