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> Main
CHEBI:80134 - 1'-hydroxytorulene
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ChEBI Name
1'-hydroxytorulene
ChEBI ID
CHEBI:80134
Definition
A carotenol that is (3'
E
)-3',4'-didehydro-1',2'-dihydro-β,ψ-carotene which carries a hydroxy group at position 1'.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C40H56O
Net Charge
0
Average Mass
552.874
Monoisotopic Mass
552.43312
InChI
InChI=1S/C40H56O/c1-
32(20-
13-
22-
34(3)
23-
14-
24-
35(4)
26-
16-
31-
40(9,10)
41)
18-
11-
12-
19-
33(2)
21-
15-
25-
36(5)
28-
29-
38-
37(6)
27-
17-
30-
39(38,7)
8/h11-
16,18-
26,28-
29,41H,17,27,30-
31H2,1-
10H3/b12-
11+,20-
13+,21-
15+,23-
14+,26-
16+,29-
28+,32-
18+,33-
19+,34-
22+,35-
24+,36-
25+
InChIKey
JLURGIFQNZBRAB-CJXMTMHDSA-N
SMILES
C=1(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/CC(C)(O)C)\C)\C)\C)/C)/C)C(CCCC1C)(C)C
Metabolite of Species
Details
Spirochaeta aurantia
(NCBI:txid147)
of strain J1 See:
PubMed
Roles Classification
Biological Role
(s):
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1'-hydroxytorulene (
CHEBI:80134
)
has parent hydride
torulene (
CHEBI:9638
)
1'-hydroxytorulene (
CHEBI:80134
)
has role
bacterial metabolite (
CHEBI:76969
)
1'-hydroxytorulene (
CHEBI:80134
)
is a
carotenol (
CHEBI:23045
)
1'-hydroxytorulene (
CHEBI:80134
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
(3'
E
)-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol
Synonyms
Sources
1',2'-dihydro-1'-hydroxytorulene
ChEBI
1'-hydroxytorulene
UniProt
1'-OH-torulene
ChEBI
3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol
ChEBI
myxocoxanthin
KEGG COMPOUND
Manual Xrefs
Databases
C00022845
KNApSAcK
C15860
KEGG COMPOUND
CPD-17309
MetaCyc
View more database links
Registry Number
Type
Source
59122-37-1
CAS Registry Number
KNApSAcK
Citations
Types
Sources
1158846
PubMed citation
Europe PMC
15251462
PubMed citation
Europe PMC
19304845
PubMed citation
Europe PMC
Last Modified
05 February 2019