CHEBI:35327 - astacene

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ChEBI Name astacene
ChEBI ID CHEBI:35327
Definition A carotenone that consists of β,β-carotene bearing four oxo substituents at positions 2, 2', 4 and 4'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H48O4
Net Charge 0
Average Mass 592.80672
Monoisotopic Mass 592.35526
InChI InChI=1S/C40H48O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+
InChIKey RASZIXQTZOARSV-QISQUURKSA-N
SMILES CC(\C=C\C=C(C)\C=C\C1=C(C)C(=O)C(=O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(=O)CC1(C)C
ChEBI Ontology
Outgoing astacene (CHEBI:35327) has parent hydride β-carotene (CHEBI:17579)
astacene (CHEBI:35327) is a carotenone (CHEBI:35310)
IUPAC Name
β,β-carotene-3,3',4,4'-tetrone
Synonym Source
astacin ChemIDplus
Registry Numbers Types Sources
2032712 Beilstein Registry Number Beilstein
2032712 Reaxys Registry Number Reaxys
514-76-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15823009 PubMed citation Europe PMC
16747424 PubMed citation Europe PMC
19621574 PubMed citation Europe PMC
20267555 PubMed citation Europe PMC
22417348 PubMed citation Europe PMC
Last Modified
13 April 2012