COMPOUND: C16319
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Entry
C16319 Compound
Name
Etherolenic acid;
(9Z,11E,1'E,3'Z)-12-(1',3'-Hexadienyloxy)-9,11-dodecadienoic acid
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.4131
Structure
Mol file
KCF file
DB search
Reaction
R07871
Pathway
map00592
alpha-Linolenic acid metabolism
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA10 Fatty ethers
C16319 Etherolenic acid
BRITE hierarchy
Other DBs
PubChem:
47205627
ChEBI:
80443
LIPIDMAPS:
LMFA10000003
NIKKAJI:
J1.511.089I
LinkDB
All DBs
KCF data
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ATOM 21
1 O2a O 13.3000 -18.7600
2 C2b C 14.0000 -19.9500
3 C2b C 15.4000 -19.9500
4 C2b C 14.0000 -17.5700
5 C2b C 15.4000 -17.5700
6 C2b C 16.5900 -16.8700
7 C2b C 17.9900 -16.8700
8 C1b C 19.1800 -17.5700
9 C1b C 20.4400 -16.8700
10 C1b C 21.6300 -17.5700
11 C1b C 22.8200 -16.8700
12 C1b C 24.0800 -17.5700
13 C1b C 25.2700 -16.8700
14 C1b C 26.4600 -17.5700
15 C6a C 27.7200 -16.8700
16 O6a O 28.9100 -17.5700
17 O6a O 27.7200 -15.4700
18 C2b C 16.6600 -20.6500
19 C2b C 18.0600 -20.6500
20 C1b C 19.2724 -19.9500
21 C1a C 20.4849 -20.6500
BOND 20
1 1 2 1
2 2 3 2
3 1 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 1
9 9 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 3 18 1
18 18 19 2
19 19 20 1
20 20 21 1
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