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CHEBI:53161 - (3R)-3-hydroxy-12'-apo-β-carotenal

ChEBI IDCHEBI:53161
ChEBI Name(3R)-3-hydroxy-12'-apo-β-carotenal
Stars
ASCII Name(3R)-3-hydroxy-12'-apo-beta-carotenal
DefinitionAn apo carotenoid C25 terpenoid compound consisting of 12'-apo-β-carotene having an aldehyde group in the 12'-position and an (R)-hydroxy substituent at the 3-position.
Last Modified15 July 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H34O2
Net Charge0
Average Mass366.545
Monoisotopic Mass366.25588
SMILES[H]C(=O)/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t23-/m1/s1
InChIKeyPAUIQDPAEDELMC-HEZGKBSMSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(3R)-3-hydroxy-12'-apo-β-carotenal (CHEBI:53161) has role plant metabolite (CHEBI:76924)
(3R)-3-hydroxy-12'-apo-β-carotenal (CHEBI:53161) is a apo carotenoid C25 terpenoid (CHEBI:53184)
(3R)-3-hydroxy-12'-apo-β-carotenal (CHEBI:53161) is a enal (CHEBI:51688)
IUPAC Name 
(3R)-8'-apo-β-caroten-12'-al-3-ol
Registry NumbersSources
Reaxys:4787373Reaxys
Citations