COMPOUND: C19621
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Entry
C19621 Compound
Name
9,10,18-Trihydroxystearate;
9,10,18-Trihydroxystearic acid;
9,10,18-Trihydroxyoctadecanoic acid
Formula
C18H36O5
Exact mass
332.2563
Mol weight
332.47
Structure
Mol file
KCF file
DB search
Reaction
R09461
R09464
Pathway
map00073
Cutin, suberine and wax biosynthesis
Enzyme
1.14.-.- 3.3.2.-
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA02 Octadecanoids
FA0200 Other Octadecanoids
C19621 9,10,18-Trihydroxyoctadecanoic acid
BRITE hierarchy
Other DBs
PubChem:
135626109
ChEBI:
133325
LIPIDMAPS:
LMFA02000147
KNApSAcK:
C00034431
LinkDB
All DBs
KCF data
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ATOM 23
1 C1b C 18.5500 -24.6400
2 C1b C 19.7400 -25.4100
3 C1b C 17.3600 -25.4100
4 C1c C 21.0000 -24.6400
5 C1b C 16.1000 -24.6400
6 C1c C 22.4000 -24.6400
7 C1b C 14.9100 -25.4100
8 C1b C 23.5900 -25.4100
9 C1b C 13.7200 -24.6400
10 C1b C 24.7800 -24.6400
11 C1b C 12.5300 -25.4100
12 C1b C 26.0400 -25.4100
13 C6a C 11.2700 -24.6400
14 C1b C 27.2300 -24.6400
15 O6a O 10.0800 -25.4100
16 O6a O 11.2700 -23.2400
17 C1b C 28.4200 -25.4100
18 C1b C 29.6100 -24.6400
19 C1b C 30.8700 -25.4100
20 C1b C 32.0600 -24.6400
21 O1a O 21.0000 -23.2400
22 O1a O 22.4000 -23.2400
23 O1a O 33.3064 -25.2776
BOND 22
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 4 21 1
21 6 22 1
22 20 23 1
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