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> Main
CHEBI:35327 - astacene
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ChEBI Ontology
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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'.
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This entity has been manually annotated by the ChEBI Team.
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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
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