COMPOUND: C15883
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Entry
C15883 Compound
Name
2,3-Dimethyl-5-phytylquinol;
2,3-Dimethyl-5-phytyl-1,4-hydroquinone;
2,3-Dimethyl-6-phytylbenzene-1,4-diol
Formula
C28H48O2
Exact mass
416.3654
Mol weight
416.68
Structure
Mol file
KCF file
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Reaction
R07501
R07502
Pathway
map00130
Ubiquinone and other terpenoid-quinone biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
map01240
Biosynthesis of cofactors
Module
M00112
Tocopherol/tocotorienol biosynthesis, homogentisate + phytyl/geranylgeranyl-PP => tocopherol/tocotorienol
Enzyme
2.1.1.295
5.5.1.24
Other DBs
PubChem:
47205203
ChEBI:
75407
KNApSAcK:
C00007591
NIKKAJI:
J1.039.810J
LinkDB
All DBs
KCF data
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ATOM 30
1 C1b C 15.6100 -15.4700
2 C1b C 16.8000 -14.8400
3 C1b C 18.0600 -15.5400
4 C1c C 19.3200 -14.9100
5 C1b C 20.5100 -15.6800
6 C1a C 19.3200 -13.5800
7 C1b C 21.7700 -14.9100
8 C1b C 22.8900 -15.6800
9 C1c C 24.1500 -14.9800
10 C1b C 25.3400 -15.7500
11 C1a C 24.1500 -13.6500
12 C1b C 26.6000 -15.0500
13 C1b C 27.7900 -15.8200
14 C1c C 28.9800 -15.0500
15 C1a C 28.9800 -13.7200
16 C1a C 30.1700 -15.8200
17 C2c C 14.4200 -14.7700
18 C2b C 13.1600 -15.4700
19 C1b C 11.9700 -14.7700
20 C8y C 10.7800 -15.4700
21 C8y C 9.5200 -14.7700
22 C8y C 8.3300 -15.4700
23 C8y C 8.3300 -16.8700
24 C8y C 9.5200 -17.5700
25 C8x C 10.7800 -16.8700
26 O1a O 9.5200 -13.3700
27 C1a C 7.1400 -14.7700
28 O1a O 9.5200 -18.9700
29 C1a C 14.4200 -13.3700
30 C1a C 7.1147 -17.5651
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 1 #Down
6 5 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 9 11 1 #Down
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 14 16 1
16 1 17 1
17 17 18 2
18 18 19 1
19 19 20 1
20 20 21 2
21 21 22 1
22 22 23 2
23 23 24 1
24 24 25 2
25 20 25 1
26 21 26 1
27 22 27 1
28 24 28 1
29 17 29 1
30 23 30 1
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