COMPOUND: C08319
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Entry
C08319 Compound
Name
alpha-Licanic acid;
(9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid;
4-Oxo-9,11,13-octadecatrienoic acid;
4-Oxo-cis-9,trans-11,trans-13-octadecatrienoic acid
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.41
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA02 Octadecanoids
FA0200 Other Octadecanoids
C08319 (9Z,11E,13E)-4-Oxooctadeca-9,11,13-trienoic acid
BRITE hierarchy
Other DBs
CAS:
623-99-4
PubChem:
10517
ChEBI:
28771
LIPIDMAPS:
LMFA02000273
KNApSAcK:
C00001222
NIKKAJI:
J11.523A
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KCF data
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ATOM 21
1 C5a C 20.5066 -18.0811
2 C1b C 21.7127 -17.3821
3 C1b C 19.2943 -17.3821
4 O5a O 20.5066 -19.4852
5 C1b C 22.9311 -18.0811
6 C1b C 18.0821 -18.0811
7 C1b C 24.1435 -17.3821
8 C6a C 16.8698 -17.3821
9 C1b C 25.3558 -18.0811
10 O6a O 15.6576 -18.0811
11 O6a O 16.8698 -15.9782
12 C2b C 26.5680 -17.3821
13 C2b C 27.9720 -17.3821
14 C2b C 29.1842 -18.0748
15 C2b C 30.4026 -17.3760
16 C2b C 31.6150 -18.0687
17 C2b C 32.8211 -17.3697
18 C1b C 34.0334 -18.0687
19 C1b C 35.2456 -17.3697
20 C1b C 36.4579 -18.0687
21 C1a C 37.6763 -17.3697
BOND 20
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 6 8 1
8 7 9 1
9 8 10 1
10 8 11 2
11 9 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
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