COMPOUND: C08454
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Entry
C08454 Compound
Name
(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide;
(2E,6E,8E)-N-Isobutyl-2,6,8-hexadecatriene-10-yneamide
Formula
C20H31NO
Exact mass
301.2406
Mol weight
301.4662
Structure
Mol file
KCF file
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Other DBs
CAS:
86926-57-0
PubChem:
10647
ChEBI:
282
KNApSAcK:
C00001288
NIKKAJI:
J2.766.037A
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KCF data
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ATOM 22
1 C2b C 22.5407 -19.8477
2 C2b C 23.7520 -19.1480
3 C5a C 21.3232 -19.1480
4 C1b C 24.9697 -19.8477
5 N1b N 20.1118 -19.8477
6 O5a O 21.3232 -17.7491
7 C1b C 26.1808 -19.1480
8 C1b C 18.8943 -19.1480
9 C2b C 27.3985 -19.8477
10 C1c C 17.6896 -19.8477
11 C2b C 28.6030 -19.1480
12 C1a C 16.4719 -19.1480
13 C1a C 17.6896 -21.2466
14 C2b C 29.8207 -19.8477
15 C2b C 31.0384 -19.1480
16 C3b C 32.2495 -19.8477
17 C3b C 33.4672 -20.5536
18 C1b C 34.6784 -21.2466
19 C1b C 35.8960 -20.5536
20 C1b C 37.1072 -21.2466
21 C1b C 38.3185 -20.5536
22 C1a C 39.5296 -21.2466
BOND 21
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 7 9 1
9 8 10 1
10 9 11 2
11 10 12 1
12 10 13 1
13 11 14 1
14 14 15 2
15 15 16 1
16 16 17 3
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
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