COMPOUND: C01607
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Entry
C01607 Compound
Name
Phytanate;
Phytanic acid;
3,7,11,15-Tetramethylhexadecanoic acid
Formula
C20H40O2
Exact mass
312.3028
Mol weight
312.5304
Structure
Mol file
KCF file
DB search
Reaction
R03631
Enzyme
6.2.1.24
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010401 Acyclic diterpenoids
C01607 Phytanate
BRITE hierarchy
Other DBs
CAS:
14721-66-5
PubChem:
4760
ChEBI:
16285
37257
LIPIDMAPS:
LMPR0104010004
NIKKAJI:
J14.320K
LinkDB
All DBs
KCF data
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ATOM 22
1 C1b C 29.2826 -34.2784
2 C1c C 28.0724 -33.5768
3 C1b C 30.4869 -33.5768
4 C1b C 26.8622 -34.2784
5 C1a C 28.0724 -32.1736
6 C1b C 31.7088 -34.2784
7 C1b C 25.6462 -33.5768
8 C1c C 32.9191 -33.5768
9 C1b C 24.4417 -34.2784
10 C1b C 34.1293 -34.2608
11 C1a C 32.9191 -32.1736
12 C1c C 23.2257 -33.5768
13 C6a C 35.3044 -33.5008
14 C1b C 22.0155 -34.2784
15 C1a C 23.2257 -32.1736
16 O6a O 36.5498 -34.1497
17 O6a O 35.3102 -32.1094
18 C1b C 20.8052 -33.5768
19 C1b C 19.5891 -34.2784
20 C1c C 18.3848 -33.5768
21 C1a C 17.1688 -34.2784
22 C1a C 18.3848 -32.1736
BOND 21
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 8 11 1
11 9 12 1
12 10 13 1
13 12 14 1
14 12 15 1
15 13 16 1
16 13 17 2
17 14 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 20 22 1
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