COMPOUND: C08553
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Entry
C08553 Compound
Name
PM-Toxin A;
(4R,12R,20R,28R)-4,12,20,28-Tetrahydroxy-2,10,18,26-tritriacontanetetrone
Formula
C33H60O8
Exact mass
584.4288
Mol weight
584.8247
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA05 Fatty alcohols
C08553 PM-Toxin A
BRITE hierarchy
Other DBs
CAS:
88212-12-8
PubChem:
10746
ChEBI:
7879
LIPIDMAPS:
LMFA05000693
KNApSAcK:
C00001325
NIKKAJI:
J133.875G
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All DBs
KCF data
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ATOM 41
1 C1b C 34.4801 -18.7312
2 C5a C 35.7148 -18.0257
3 C1c C 33.2513 -18.0257
4 C1b C 36.8553 -18.3727
5 O5a O 35.7148 -16.5736
6 O1a O 33.2513 -16.6029
7 C1b C 37.4963 -19.4545
8 C1b C 37.0023 -20.5303
9 C1b C 35.7971 -21.0301
10 C1b C 34.5683 -20.3188
11 C1c C 33.3336 -21.0301
12 C1b C 32.1109 -20.3188
13 O1a O 33.3336 -22.4470
14 C5a C 30.8760 -21.0301
15 C1b C 29.6415 -20.3188
16 O5a O 30.8760 -22.4470
17 C1b C 28.4127 -21.0301
18 C1b C 27.1839 -20.3188
19 C1b C 25.9551 -21.0301
20 C1b C 24.7205 -20.3188
21 C1c C 23.4917 -21.0301
22 C1b C 22.2630 -20.3188
23 O1a O 23.4917 -22.4470
24 C5a C 21.0342 -21.0301
25 C1a C 19.7996 -20.3188
26 O5a O 21.0342 -22.4470
27 C1b C 27.1016 -18.7312
28 C5a C 25.8669 -18.0257
29 C1b C 24.6382 -18.7312
30 O5a O 25.8669 -16.6029
31 C1c C 23.4036 -18.0257
32 O1a O 23.4036 -16.6029
33 C1b C 28.3177 -17.9906
34 C1b C 29.5396 -18.6961
35 C1b C 30.7615 -17.9906
36 C1b C 31.9833 -18.6961
37 C1b C 22.2057 -18.6961
38 C1b C 20.9837 -17.9906
39 C1b C 19.7619 -18.6961
40 C1b C 18.5400 -17.9906
41 C1a C 17.3354 -18.6862
BOND 40
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 2
5 3 6 1 #Up
6 4 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 11 13 1 #Up
13 12 14 1
14 14 15 1
15 14 16 2
16 15 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 21 23 1 #Up
23 22 24 1
24 24 25 1
25 24 26 2
26 27 28 1
27 28 29 1
28 28 30 2
29 29 31 1
30 31 32 1 #Up
31 27 33 1
32 33 34 1
33 34 35 1
34 35 36 1
35 3 36 1
36 31 37 1
37 37 38 1
38 38 39 1
39 39 40 1
40 40 41 1
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