COMPOUND: C08394
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Entry
C08394 Compound
Name
Tritriacontane-16,18-dione;
N-Tritriacontane-16,18-dione
Formula
C33H64O2
Exact mass
492.4906
Mol weight
492.8601
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA12 Oxygenated hydrocarbons
C08394 Tritriacontane-16,18-dione
BRITE hierarchy
Other DBs
CAS:
24514-86-1
PubChem:
10590
ChEBI:
9752
LIPIDMAPS:
LMFA12000007
KNApSAcK:
C00001271
NIKKAJI:
J202.667H
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All DBs
KCF data
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ATOM 35
1 C5a C 26.7934 -19.8990
2 C1b C 28.0000 -20.6057
3 C1b C 25.5761 -20.6057
4 O5a O 26.7934 -18.5080
5 C5a C 29.2066 -19.8990
6 C1b C 24.3698 -19.8990
7 C1b C 30.4239 -20.6057
8 O5a O 29.2066 -18.5080
9 C1b C 23.1631 -20.6057
10 C1b C 31.6302 -19.8990
11 C1b C 21.9568 -19.8990
12 C1b C 32.8369 -20.6057
13 C1b C 20.7502 -20.6057
14 C1b C 34.0432 -19.8990
15 C1b C 19.5329 -19.8990
16 C1b C 35.2498 -20.6057
17 C1b C 18.3263 -20.6057
18 C1b C 36.4671 -19.8990
19 C1b C 17.1200 -19.8990
20 C1b C 37.6737 -20.6057
21 C1b C 15.9027 -20.6057
22 C1b C 38.8800 -19.8990
23 C1b C 14.6960 -19.8990
24 C1b C 40.0973 -20.6057
25 C1b C 13.4897 -20.6057
26 C1b C 41.3040 -19.8990
27 C1b C 12.2831 -19.8990
28 C1b C 42.5103 -20.6057
29 C1b C 11.0765 -20.6057
30 C1b C 43.7169 -19.8990
31 C1b C 9.8592 -19.8990
32 C1b C 44.9235 -20.6057
33 C1a C 8.6529 -20.6057
34 C1b C 46.1408 -19.8990
35 C1a C 47.3471 -20.6057
BOND 34
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 1
6 5 7 1
7 5 8 2
8 6 9 1
9 7 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 22 24 1
24 23 25 1
25 24 26 1
26 25 27 1
27 26 28 1
28 27 29 1
29 28 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 32 34 1
34 34 35 1
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