COMPOUND: C06630
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Entry
C06630 Compound
Name
3-O-alpha-Mycarosylerythronolide B;
3-alpha-L-Mycarosylerythronolide B;
4-(4,5-Dihydroxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-14-ethyl-6,7,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Formula
C28H50O10
Exact mass
546.3404
Mol weight
546.69
Structure
Mol file
KCF file
DB search
Reaction
R05530
R05531
Pathway
map00522
Biosynthesis of 12-, 14- and 16-membered macrolides
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00774
Erythromycin biosynthesis, propanoyl-CoA + methylmalonyl-CoA => deoxyerythronolide B => erythromycin A/B
Enzyme
2.4.1.278
2.4.1.328
Brite
Lipids [BR:
br08002
]
PK Polyketides
PK04 Macrolides and lactone polyketides
C06630 3-O-alpha-Mycarosylerythronolide B
BRITE hierarchy
Other DBs
CAS:
34698-88-9
PubChem:
8856
ChEBI:
28343
NIKKAJI:
J941.080E
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All DBs
KCF data
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ATOM 38
1 C1y C 30.5685 -21.8883
2 O2a O 29.3025 -20.9268
3 C1x C 30.6205 -23.3681
4 O2x O 31.8517 -21.1542
5 C1y C 27.9942 -19.8104
6 C1z C 31.8227 -24.1138
7 C1y C 33.1234 -21.9114
8 C1y C 27.9942 -18.4578
9 C1y C 26.8208 -20.4926
10 C1y C 33.1112 -23.3854
11 C1a C 32.6495 -25.2929
12 O1a O 31.3026 -25.2928
13 C1a C 34.4066 -21.1484
14 C1y C 29.1620 -17.7872
15 C1a C 27.0290 -17.4983
16 C7x C 25.6532 -19.8104
17 C1a C 26.8208 -21.8395
18 O1a O 34.3894 -24.1254
19 C1z C 29.1620 -16.4346
20 O1a O 30.3179 -18.4578
21 O7x O 25.6532 -18.4578
22 O6a O 24.4855 -20.4926
23 C1x C 27.9942 -15.7584
24 C1a C 30.4451 -16.7814
25 O1a O 30.3179 -15.7584
26 C1y C 24.4855 -17.7872
27 C1y C 27.9942 -14.4115
28 C1y C 24.4855 -16.4346
29 C1b C 23.3064 -18.4462
30 C5x C 26.8208 -13.7294
31 C1a C 29.1620 -13.7294
32 C1y C 25.6532 -15.7584
33 C1a C 23.2485 -15.7237
34 C1y C 25.6532 -14.4115
35 O5x O 26.8208 -12.3767
36 O1a O 26.8151 -16.4290
37 C1a C 24.4855 -13.7294
38 C1a C 22.1162 -17.7367
BOND 39
1 1 2 1 #Down
2 1 3 1
3 1 4 1
4 5 2 1 #Down
5 3 6 1
6 4 7 1
7 5 8 1
8 5 9 1
9 6 10 1
10 6 11 1 #Up
11 6 12 1 #Down
12 7 13 1 #Up
13 8 14 1
14 8 15 1 #Down
15 9 16 1
16 9 17 1 #Up
17 10 18 1 #Down
18 14 19 1
19 14 20 1 #Down
20 16 21 1
21 16 22 2
22 19 23 1
23 19 24 1 #Down
24 19 25 1 #Up
25 21 26 1
26 23 27 1
27 26 28 1
28 26 29 1 #Down
29 27 30 1
30 27 31 1 #Down
31 28 32 1
32 28 33 1 #Down
33 30 34 1
34 30 35 2
35 32 36 1 #Up
36 34 37 1 #Up
37 7 10 1
38 32 34 1
39 29 38 1
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