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CHEBI:39930 - (3R)-3-hydroxy-8'-apo-β-carotenol

ChEBI IDCHEBI:39930
ChEBI Name(3R)-3-hydroxy-8'-apo-β-carotenol
Stars
ASCII Name(3R)-3-hydroxy-8'-apo-beta-carotenol
DefinitionAn apo carotenoid triterpenoid compound consisting of 8'-apo-β-carotene having a hydroxy group at the 8'-position and an (R)-hydroxy substituent at the 3-position.
Last Modified2 October 2009
DownloadsMolfile
FormulaC30H42O2
Net Charge0
Average Mass434.664
Monoisotopic Mass434.31848
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C30H42O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1
InChIKeyFNAJVVMDXCOSFY-QCPGYTKSSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R)-3-hydroxy-8'-apo-β-carotenol (CHEBI:39930) is a apo carotenoid triterpenoid (CHEBI:36783)
IUPAC Names 
(3R)-8'-apo-β-carotene-3,8'-diol
(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
Synonyms  Source
(3R)-3-HYDROXY-8'-APOCAROTENOLPDBeChem
β-citraurolChEBI
Manual XrefsDatabases
3ONPDBeChem
DB02253DrugBank
Registry NumbersSources
Beilstein:5454082Beilstein