COMPOUND: C06626
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Entry
C06626 Compound
Name
4-Ketoanhydrochlortetracycline;
4-Ketoanhydro-7-chlorotetracycline;
4-Oxoanhydrochlortetracycline;
4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline
Formula
C20H14ClNO8
Exact mass
431.0408
Mol weight
431.7801
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
PK Polyketides
PK07 Linear tetracyclines
C06626 4-Dedimethylamine-4-oxo-anhydro-7-Cl-tetracycline
BRITE hierarchy
Other DBs
PubChem:
8852
ChEBI:
28392
LIPIDMAPS:
LMPK07000006
NIKKAJI:
J2.762.506A
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All DBs
KCF data
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ATOM 30
1 C1z C 26.7280 -16.7357
2 C1y C 26.7514 -15.3359
3 C5x C 25.5209 -17.4182
4 C5x C 27.9237 -17.4473
5 O1a O 26.7165 -18.1298
6 C1x C 25.5440 -14.6186
7 C5x C 27.9646 -14.6477
8 C8y C 24.3835 -16.7124
9 O5x O 25.5792 -18.8238
10 C2y C 29.2186 -16.7707
11 O5x O 27.9063 -18.8471
12 C8y C 24.3252 -15.3126
13 C2y C 29.1660 -15.3709
14 O5x O 27.9587 -13.2538
15 C8y C 23.1003 -17.4065
16 C5a C 30.3500 -17.4823
17 C8y C 23.1120 -14.6012
18 O1a O 30.3909 -14.6827
19 C8y C 21.8872 -16.7066
20 O1a O 23.0886 -18.8004
21 N1a N 31.5807 -16.8000
22 O5a O 30.4026 -18.8879
23 C8y C 21.8930 -15.3009
24 C1a C 23.1179 -13.2014
25 C8y C 20.6856 -17.4006
26 C8y C 20.6856 -14.5952
27 C8x C 19.4666 -16.7066
28 O1a O 20.6856 -18.8064
29 C8x C 19.4666 -15.3009
30 X Cl 20.6856 -13.2014
BOND 33
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 2
9 4 10 1
10 4 11 2
11 6 12 1
12 7 13 1
13 7 14 2
14 8 15 2
15 10 16 1
16 12 17 2
17 13 18 1
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 2
22 17 23 1
23 17 24 1
24 19 25 2
25 23 26 2
26 25 27 1
27 25 28 1
28 26 29 1
29 26 30 1
30 8 12 1
31 10 13 2
32 19 23 1
33 27 29 2
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