EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53153 - 10'-apo-β-carotenal

ChEBI IDCHEBI:53153
ChEBI Name10'-apo-β-carotenal
Stars
ASCII Name10'-apo-beta-carotenal
DefinitionAn apo carotenoid compound arising from oxidative degradation of the β,β-carotene skeleton at the 10'-position.
Last Modified4 September 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H36O
Net Charge0
Average Mass376.584
Monoisotopic Mass376.27662
SMILES[H]C(=O)/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+
InChIKeyPJEHRCCPERVGEC-FLHUAPOTSA-N
ChEBI Ontology
Outgoing Relation(s)
10'-apo-β-carotenal (CHEBI:53153) is a apo carotenoid (CHEBI:53183)
10'-apo-β-carotenal (CHEBI:53153) is a enal (CHEBI:51688)
IUPAC Name 
10'-apo-β-caroten-10'-al
Synonym  Source
10'-Apo-beta,psi-carotenalChemIDplus
UniProt Name  Source
all-trans-10'-apo-β-carotenalUniProt
Registry NumbersSources
Reaxys:2004771Reaxys
CAS:640-49-3ChemIDplus
Citations