KEGG   COMPOUND: C06630Help
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
546.6906
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00522  Biosynthesis of 12-, 14- and 16-membered macrolides
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00774  Erythromycin biosynthesis, propanoyl-CoA + methylmalonyl-CoA => deoxyerythronolide B => erythromycin A/B
Enzyme
2.4.1.278       2.4.1.328
Other DBs
CAS: 34698-88-9
PubChem: 8856
ChEBI: 28343
3DMET: B02078
NIKKAJI: J941.080E
LinkDB All DBs
KCF data Show

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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