COMPOUND: C13838
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Entry
C13838 Compound
Name
Lactobacillic acid;
11R,12S-Methylene-octadecanoic acid
Formula
C19H36O2
Exact mass
296.2715
Mol weight
296.4879
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA01 Fatty Acids and Conjugates
FA0114 Carbocyclic fatty acids
C13838 Lactobacillic acid
BRITE hierarchy
Other DBs
PubChem:
854083
ChEBI:
34811
LIPIDMAPS:
LMFA01140001
3DMET:
B04600
NIKKAJI:
J13.562C
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KCF data
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ATOM 21
1 C1a C 17.9838 -17.5166
2 C1b C 19.1878 -18.2113
3 C1b C 20.3918 -17.5166
4 C1b C 21.5959 -18.2113
5 C1b C 22.7999 -17.5166
6 C1b C 24.0040 -18.2113
7 C1y C 25.2081 -17.5166
8 C1y C 26.5973 -17.5166
9 C1b C 27.8014 -18.2113
10 C1b C 29.0054 -17.5166
11 C1b C 30.2095 -18.2113
12 C1b C 31.4135 -17.5166
13 C1b C 32.6175 -18.2113
14 C1b C 33.8216 -17.5166
15 C1b C 35.0256 -18.2113
16 C1b C 36.2296 -17.5166
17 C1b C 37.4337 -18.2113
18 C6a C 38.6377 -17.5166
19 O6a O 39.8417 -18.2113
20 C1x C 25.9490 -16.1736
21 O6a O 38.6377 -16.1274
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
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 16 17 1
17 17 18 1
18 18 19 1
19 8 20 1 #Up
20 7 20 1 #Up
21 18 21 2
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