COMPOUND: C14832
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Entry
C14832 Compound
Name
12,13-Epoxy-9-hydroxy-10-octadecenoate;
12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid;
(10E)-(9S,12R,13S)-12,13-Epoxy-9-hydroxyoctadec-10-enoic acid
Formula
C18H32O4
Exact mass
312.2301
Mol weight
312.44
Structure
Mol file
KCF file
DB search
Pathway
map00591
Linoleic acid metabolism
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA02 Octadecanoids
FA0200 Other Octadecanoids
C14832 (10E)-(9S,12R,13S)-12,13-Epoxy-9-hydroxyoctadec-10-enoic acid
BRITE hierarchy
Other DBs
PubChem:
17395830
ChEBI:
34148
LIPIDMAPS:
LMFA02000013
NIKKAJI:
J2.789.509C
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All DBs
KCF data
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ATOM 22
1 C2b C 28.5600 -24.2900
2 C2b C 29.8200 -23.6600
3 C1y C 31.1500 -24.2200
4 C1y C 32.6200 -24.2200
5 C1b C 33.8100 -23.5900
6 C1b C 35.0000 -24.2200
7 C1b C 36.2600 -23.5200
8 C1b C 37.4500 -24.1500
9 C1a C 38.6400 -23.5200
10 C1c C 27.1600 -24.2900
11 C1b C 23.5900 -23.5900
12 C1b C 22.4000 -24.2900
13 C1b C 21.1400 -23.5900
14 C1b C 19.9500 -24.2900
15 C1b C 18.7600 -23.5900
16 C6a C 17.5700 -24.2900
17 O6a O 16.3100 -23.5900
18 O6a O 17.5700 -25.8300
19 C1b C 24.7800 -24.2900
20 C1b C 25.9700 -23.5900
21 O1a O 26.7922 -26.0608
22 O2x O 31.8500 -25.6900
BOND 22
1 1 2 2
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 1 10 1
10 11 12 1
11 12 13 1
12 13 14 1
13 14 15 1
14 15 16 1
15 16 17 1
16 16 18 2
17 11 19 1
18 19 20 1
19 20 10 1
20 10 21 1 #Up
21 3 22 1 #Down
22 4 22 1 #Down
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