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CHEBI:79065 - 4,4'-diaponeurosporenal

ChEBI IDCHEBI:79065
ChEBI Name4,4'-diaponeurosporenal
Stars
DefinitionAn apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been oxidised to the corresponding aldehyde.
Last Modified19 September 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H40O
Net Charge0
Average Mass416.649
Monoisotopic Mass416.30792
SMILES[H]C(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H40O/c1-25(2)14-10-17-28(5)20-11-18-26(3)15-8-9-16-27(4)19-12-21-29(6)22-13-23-30(7)24-31/h8-9,11-16,18-24H,10,17H2,1-7H3/b9-8+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+
InChIKeyXDVAYNOICRRSLG-ZVLLIQJTSA-N
Species of MetaboliteComponentSourceComments
Staphylococcus aureus (ncbitaxon:1280) - PubMed (15933032) Strain: ATCC 35556
ChEBI Ontology
Outgoing Relation(s)
4,4'-diaponeurosporenal (CHEBI:79065) has parent hydride 4,4'-diapolycopene (CHEBI:62449)
4,4'-diaponeurosporenal (CHEBI:79065) is a apo carotenoid triterpenoid (CHEBI:36783)
4,4'-diaponeurosporenal (CHEBI:79065) is a enal (CHEBI:51688)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenal
Synonym  Source
4,4'-Diaponeurosporen-4-alChemIDplus
UniProt Name  Source
4,4'-diaponeurosporenalUniProt
Manual XrefsDatabases
CPD-9912MetaCyc
C19839KEGG COMPOUND
C00023141KNApSAcK
Registry NumbersSources
Reaxys:1889837Reaxys
CAS:59057-70-4ChemIDplus
Citations