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CHEBI:4746 - echinenone

ChEBI IDCHEBI:4746
ChEBI Nameechinenone
Stars
DefinitionA carotenone that is β-carotene in which the 4 position has undergone formal oxidation to afford the corresponding ketone. Isolated as orange-red crystals, it is widely distributed in marine invertebrates.
Last Modified25 July 2019
DownloadsMolfile
FormulaC40H54O
Net Charge0
Average Mass550.871
Monoisotopic Mass550.41747
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1
InChIInChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+
InChIKeyQXNWZXMBUKUYMD-QQGJMDNJSA-N
Species of MetaboliteComponentSourceComments
Kocuria rosea (ncbitaxon:1275) - PubMed (5473895)
Roles Classification
Biological Roles:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
echinenone (CHEBI:4746) has parent hydride β-carotene (CHEBI:17579)
echinenone (CHEBI:4746) has role animal metabolite (CHEBI:75767)
echinenone (CHEBI:4746) has role bacterial metabolite (CHEBI:76969)
echinenone (CHEBI:4746) has role cofactor (CHEBI:23357)
echinenone (CHEBI:4746) has role marine metabolite (CHEBI:76507)
echinenone (CHEBI:4746) is a carotenone (CHEBI:35310)
Incoming Relation(s)
3'-hydroxyechinenone (CHEBI:80214) has functional parent echinenone (CHEBI:4746)
4'-hydroxyechinenone (CHEBI:140610) has functional parent echinenone (CHEBI:4746)
4',4'-dihydroxyechinenone (CHEBI:140676) has functional parent echinenone (CHEBI:4746)
IUPAC Name 
β,β-caroten-4-one
Synonyms  Source
4-keto-β-caroteneChEBI
4-oxo-β-caroteneChEBI
aphaninChEBI
EchinenoneKEGG COMPOUND
myoxanthinChEBI
UniProt Name  Source
echinenoneUniProt
Manual XrefsDatabases
C00000925KNApSAcK
C08592KEGG COMPOUND
ECHPDBeChem
GB1549643Patent
US4100197Patent
Registry NumbersSources
Reaxys:2030114Reaxys
CAS:432-68-8ChemIDplus
CAS:432-68-8KEGG COMPOUND
Citations