CHEBI:4746 - echinenone

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ChEBI Name echinenone
ChEBI ID CHEBI:4746
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H54O
Net Charge 0
Average Mass 550.85620
Monoisotopic Mass 550.41747
InChI InChI=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+
InChIKey QXNWZXMBUKUYMD-QQGJMDNJSA-N
SMILES CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C
Metabolite of Species Details
Kocuria rosea (NCBI:txid1275) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
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).
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ChEBI Ontology
Outgoing 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 3'-hydroxyechinenone (CHEBI:80214) has functional parent echinenone (CHEBI:4746)
4',4'-dihydroxyechinenone (CHEBI:140676) has functional parent echinenone (CHEBI:4746)
4'-hydroxyechinenone (CHEBI:140610) has functional parent echinenone (CHEBI:4746)
IUPAC Name
β,β-caroten-4-one
Synonyms Sources
4-keto-β-carotene ChEBI
4-oxo-β-carotene ChEBI
aphanin ChEBI
Echinenone KEGG COMPOUND
echinenone UniProt
myoxanthin ChEBI
Manual Xrefs Databases
C00000925 KNApSAcK
C08592 KEGG COMPOUND
ECH PDBeChem
GB1549643 Patent
MOL000094 COMe
US4100197 Patent
View more database links
Registry Numbers Types Sources
2030114 Reaxys Registry Number Reaxys
2030114 Beilstein Registry Number Beilstein
432-68-8 CAS Registry Number KEGG COMPOUND
432-68-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11697247 PubMed citation Europe PMC
17765578 PubMed citation Europe PMC
23160982 PubMed citation Europe PMC
5473895 PubMed citation Europe PMC
Last Modified
25 July 2019