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> Main
CHEBI:31087 - 2-phytyl-1,4-naphthoquinone
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ChEBI Ontology
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ChEBI Name
2-phytyl-1,4-naphthoquinone
ChEBI ID
CHEBI:31087
Definition
A phylloquinone that consists of 1,4-naphthoquinone bearing a phytyl group at position 2.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C30H44O2
Net Charge
0
Average Mass
436.66916
Monoisotopic Mass
436.33413
InChI
InChI=1S/C30H44O2/c1-
22(2)
11-
8-
12-
23(3)
13-
9-
14-
24(4)
15-
10-
16-
25(5)
19-
20-
26-
21-
29(31)
27-
17-
6-
7-
18-
28(27)
30(26)
32/h6-
7,17-
19,21-
24H,8-
16,20H2,1-
5H3/b25-
19+/t23-
,24-
/m1/s1
InChIKey
UDYIPZFWVJJQJF-KQPZCCJBSA-N
SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=CC(=O)c2ccccc2C1=O
ChEBI Ontology
Outgoing
2-phytyl-1,4-naphthoquinone (
CHEBI:31087
)
is a
phylloquinones (
CHEBI:26106
)
IUPAC Name
2-[(2
E
,7
R
,11
R
)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
Synonyms
Sources
2-Phytyl-1,4-naphthoquinone
KEGG COMPOUND
demethylphylloquinone
UniProt
Demethylphylloquinone
KEGG COMPOUND
Manual Xref
Database
C13309
KEGG COMPOUND
View more database links
Registry Number
Type
Source
3159719
Reaxys Registry Number
Reaxys
Last Modified
31 January 2017