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CHEBI:53159 - (3R)-3-hydroxy-8'-apo-β-carotenal

ChEBI IDCHEBI:53159
ChEBI Name(3R)-3-hydroxy-8'-apo-β-carotenal
Stars
ASCII Name(3R)-3-hydroxy-8'-apo-beta-carotenal
DefinitionAn apo carotenoid triterpenoid compound consisting of 8'-apo-β-carotene having an aldehyde group in the 8'-position and an (R)-hydroxy substituent at the 3-position.
Last Modified27 February 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H40O2
Net Charge0
Average Mass432.648
Monoisotopic Mass432.30283
SMILES[H]C(=O)/C(C)=C/C=C/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/C30H40O2/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/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1
InChIKeyAVPAEFHIEZLSLZ-QCPGYTKSSA-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-8'-apo-β-carotenal (CHEBI:53159) has role plant metabolite (CHEBI:76924)
(3R)-3-hydroxy-8'-apo-β-carotenal (CHEBI:53159) is a apo carotenoid triterpenoid (CHEBI:36783)
(3R)-3-hydroxy-8'-apo-β-carotenal (CHEBI:53159) is a enal (CHEBI:51688)
IUPAC Name 
(3R)-3-hydroxy-8'-apo-β-caroten-8'-al
Synonyms  Source
β-citraurinChEBI
apo-8'-zeaxanthinalChEBI
UniProt Name  Source
(3R)-3-hydroxy-8'-apo-β-carotenalUniProt
Manual XrefsDatabases
HMDB0035091HMDB
Registry NumbersSources
Beilstein:7888297Beilstein
Reaxys:2309631Reaxys
Citations