COMPOUND: C02785
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Entry
C02785 Compound
Name
3-Hydroxy-vitamin K;
3-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone;
3-Hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone
Formula
C31H48O3
Exact mass
468.3603
Mol weight
468.711
Structure
Mol file
KCF file
DB search
Reaction
R03512
Enzyme
1.17.4.5
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR02 Quinones and hydroquinones
PR0203 Vitamin K
C02785 3-Hydroxy-vitamin K
BRITE hierarchy
Other DBs
PubChem:
5736
ChEBI:
18298
LIPIDMAPS:
LMPR02030029
NIKKAJI:
J2.737.966D
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All DBs
KCF data
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ATOM 34
1 C8y C 8.7154 -14.0999
2 C8y C 8.7154 -15.5139
3 C5x C 9.9391 -13.3860
4 C8x C 7.4916 -13.4066
5 C5x C 9.9458 -16.2211
6 C8x C 7.4916 -16.2279
7 C1z C 11.1696 -14.0932
8 O5x O 9.9322 -11.9924
9 C8x C 6.2882 -14.0999
10 C1y C 11.1832 -15.5208
11 O5x O 9.9458 -17.6148
12 C8x C 6.2882 -15.5139
13 C1b C 12.3730 -13.3929
14 O1a O 11.2329 -12.6996
15 C1a C 12.3864 -16.2142
16 C2b C 13.5830 -14.0863
17 C2c C 14.7864 -13.3793
18 C1b C 16.0033 -14.0727
19 C1a C 14.7864 -11.9856
20 C1b C 17.2067 -13.3724
21 C1b C 18.4168 -14.0591
22 C1c C 19.6201 -13.3588
23 C1b C 20.8302 -14.0524
24 C1a C 19.6134 -11.9651
25 C1b C 22.0337 -13.3452
26 C1b C 23.2436 -14.0388
27 C1c C 24.4470 -13.3385
28 C1b C 25.6572 -14.0319
29 C1a C 24.4401 -11.9448
30 C1b C 26.8604 -13.3249
31 C1b C 28.0775 -14.0183
32 C1c C 29.2807 -13.3182
33 C1a C 30.4909 -14.0047
34 C1a C 29.2740 -11.9245
BOND 35
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 7 13 1
13 7 14 1
14 10 15 1
15 13 16 1
16 16 17 2
17 17 18 1
18 17 19 1
19 18 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 22 24 1 #Down
24 23 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 27 29 1 #Down
29 28 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 32 34 1
34 7 10 1
35 9 12 1
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