COMPOUND: C14835
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Entry
C14835 Compound
Name
9,10,13-TriHOME;
9,10,13-Trihydroxyoctadec-11-enoic acid;
(11E)-9,10,13-Trihydroxyoctadec-11-enoic acid
Formula
C18H34O5
Exact mass
330.2406
Mol weight
330.4596
Structure
Mol file
KCF file
DB search
Pathway
map00591
Linoleic acid metabolism
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA02 Octadecanoids
FA0200 Other Octadecanoids
C14835 (11E)-9,10,13-Trihydroxyoctadec-11-enoic acid
BRITE hierarchy
Other DBs
PubChem:
17395833
ChEBI:
34499
LIPIDMAPS:
LMFA02000168
NIKKAJI:
J1.435.253H
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All DBs
KCF data
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ATOM 23
1 C1c C 28.6493 -22.7510
2 C2b C 29.8731 -22.1391
3 C2b C 31.1648 -22.6829
4 C1c C 32.5925 -22.6829
5 C1b C 33.7484 -22.0710
6 C1b C 34.9041 -22.6829
7 C1b C 36.1279 -22.0031
8 C1b C 37.2836 -22.6150
9 C1a C 38.4394 -22.0031
10 C1c C 27.2896 -22.7510
11 C1b C 23.8222 -22.0710
12 C1b C 22.6664 -22.7510
13 C1b C 21.4426 -22.0710
14 C1b C 20.2869 -22.7510
15 C1b C 19.1311 -22.0710
16 C6a C 17.9753 -22.7510
17 O6a O 16.7516 -22.0710
18 O6a O 17.9753 -24.2466
19 C1b C 24.9780 -22.7510
20 C1b C 26.1338 -22.0710
21 O1a O 32.9317 -24.0483
22 O1a O 26.9227 -24.2382
23 O1a O 28.9696 -24.2482
BOND 22
1 1 2 1
2 2 3 2
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 4 21 1
21 10 22 1
22 1 23 1
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