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CHEBI:138599 - 4,4'-diapolycopen-4-al

ChEBI IDCHEBI:138599
ChEBI Name4,4'-diapolycopen-4-al
Stars
DefinitionAn apo carotenoid triterpenoid that is 4,4'-diapolycopene in which one of the terminal methyl groups has been replaced by a formyl group.
Last Modified24 July 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H38O
Net Charge0
Average Mass414.633
Monoisotopic Mass414.29227
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O
InChIInChI=1S/C30H38O/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/h8-24H,1-7H3/b9-8+,17-10+,18-11+,19-12+,22-13+,26-15+,27-16+,28-20+,29-21+,30-23+
InChIKeyWJIRXBXHLMIPEE-FXMPDBABSA-N
Species of MetaboliteComponentSourceComments
Methylobacterium rhodinum (ncbitaxon:29428) - Article (Kleinig, Z. Naturforsch. C., 37, (1982), 758)
Bacillus firmus (ncbitaxon:1399) - PubMed (25326460)
Streptococcus faecium (ncbitaxon:1352) - Article (Taylor, Biochem. J.,153, (1975), 233) Strain: UNH 564P
Bacillus indicus (ncbitaxon:246786) - PubMed (25326460)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
4,4'-diapolycopen-4-al (CHEBI:138599) has parent hydride 4,4'-diapolycopene (CHEBI:62449)
4,4'-diapolycopen-4-al (CHEBI:138599) has role bacterial metabolite (CHEBI:76969)
4,4'-diapolycopen-4-al (CHEBI:138599) is a apo carotenoid triterpenoid (CHEBI:36783)
4,4'-diapolycopen-4-al (CHEBI:138599) is a enal (CHEBI:51688)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
UniProt Name  Source
all-trans-4,4'-diapolycopen-4-alUniProt
Manual XrefsDatabases
CPD-20451MetaCyc
C00023140KNApSAcK
Registry NumbersSources
Reaxys:1889802Reaxys
CAS:59137-48-3KNApSAcK
Citations