COMPOUND: C16320
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Entry
C16320 Compound
Name
Colnelenic acid;
(8E)-9-[(1E,3Z,6Z)-Nona-1,3,6-trien-1-yloxy]non-8-enoate
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.4131
Structure
Mol file
KCF file
DB search
Reaction
R07867
Pathway
map00592
alpha-Linolenic acid metabolism
map01110
Biosynthesis of secondary metabolites
Enzyme
4.2.1.121
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA10 Fatty ethers
C16320 Colnelenic acid
BRITE hierarchy
Other DBs
CAS:
52591-16-9
PubChem:
47205628
ChEBI:
60959
LIPIDMAPS:
LMFA10000002
KNApSAcK:
C00000448
NIKKAJI:
J825.434F
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All DBs
KCF data
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ATOM 21
1 O2a O 25.2700 -22.6100
2 C2b C 25.9700 -23.8000
3 C2b C 27.3700 -23.8000
4 C2b C 25.9700 -21.4200
5 C2b C 27.3700 -21.4200
6 C1b C 28.5600 -20.7200
7 C2b C 28.6300 -24.5000
8 C2b C 30.0300 -24.5000
9 C1b C 31.2200 -23.8000
10 C1b C 29.7500 -21.4200
11 C1b C 30.9400 -20.7200
12 C1b C 32.2000 -21.4200
13 C1b C 33.3900 -20.7200
14 C1b C 34.5800 -21.4200
15 C6a C 35.8400 -20.7200
16 O6a O 37.0300 -21.4200
17 O6a O 35.8400 -19.3200
18 C2b C 32.4800 -24.5000
19 C2b C 33.8800 -24.5000
20 C1b C 35.0700 -23.8000
21 C1a C 36.3300 -24.5000
BOND 20
1 1 2 1
2 2 3 2
3 1 4 1
4 4 5 2
5 5 6 1
6 3 7 1
7 7 8 2
8 8 9 1
9 6 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 15 17 2
17 9 18 1
18 18 19 2
19 19 20 1
20 20 21 1
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