KEGG   COMPOUND: C11131Help
Entry
C11131                      Compound                               

Name
2-Methoxy-estradiol-17beta 3-glucuronide
Formula
C25H34O9
Exact mass
478.2203
Mol weight
478.5321
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C11131  2-Methoxy-estradiol-17beta 3-glucuronide
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C11131  2-Methoxy-estradiol-17beta 3-glucuronide
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1y C    32.8882  -16.0359
            2   C1y C    31.6792  -15.3175
            3   C1y C    34.1088  -15.3351
            4   C1x C    32.8882  -17.4376
            5   C8y C    30.4586  -16.0242
            6   C1x C    31.6909  -13.9217
            7   C1z C    34.1146  -13.9391
            8   C1x C    36.5208  -15.3001
            9   C1x C    31.6675  -18.1326
            10  C8y C    30.4528  -17.4259
            11  C8x C    29.2379  -15.3175
            12  C1x C    32.9173  -13.2268
            13  C1y C    35.3352  -13.2501
            14  C1a C    34.1088  -12.5376
            15  C1x C    36.5384  -13.9742
            16  C8x C    29.2379  -18.1268
            17  C8y C    28.0290  -16.0242
            18  O1a O    35.3295  -11.8425
            19  C8y C    28.0232  -17.4259
            20  O2a O    26.7968  -18.1268
            21  C1y C    25.6578  -18.8160
            22  O2x O    24.5015  -18.1851
            23  C1y C    25.6988  -20.1475
            24  C1y C    23.3801  -18.8802
            25  C1y C    24.5774  -20.8308
            26  O1a O    26.8376  -20.7724
            27  C1y C    23.4094  -20.2060
            28  C6a C    22.2296  -18.2552
            29  O1a O    24.6124  -22.1390
            30  O1a O    22.2938  -20.8892
            31  O6a O    22.1828  -16.9470
            32  O6a O    21.1082  -18.9443
            33  O2a O    26.8185  -15.3264
            34  C1a C    26.8175  -13.9291
BOND        38
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1
            6     3   8 1
            7     4   9 1
            8     5  10 2
            9     5  11 1
            10    6  12 1
            11    7  13 1
            12    7  14 1 #Up
            13    8  15 1
            14   10  16 1
            15   11  17 2
            16   13  18 1 #Up
            17   16  19 2
            18   19  20 1
            19   21  20 1 #Up
            20   21  22 1
            21   21  23 1
            22   22  24 1
            23   23  25 1
            24   23  26 1 #Down
            25   24  27 1
            26   24  28 1 #Up
            27   25  29 1 #Up
            28   27  30 1 #Down
            29   28  31 1
            30   28  32 2
            31    7  12 1
            32    9  10 1
            33   13  15 1
            34   17  19 1
            35   25  27 1
            36   17  33 1
            37    1   2 1
            38   33  34 1

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