KEGG   COMPOUND: C14556
Entry
C14556                      Compound                               

Name
9-Hydroxybenzo[a]pyrene
Formula
C20H12O
Exact mass
268.0888
Mol weight
268.3087
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.14.14.1       1.14.14.-
Other DBs
CAS: 17573-21-6
PubChem: 17395556
ChEBI: 34512
ChEMBL: CHEMBL351406
NIKKAJI: J2.748K
KCF data

ATOM        21
            1   C8y C    24.0284  -18.1439
            2   C8y C    25.2193  -17.4433
            3   C8y C    22.8374  -17.4433
            4   C8y C    24.0284  -19.5449
            5   C8y C    25.2193  -16.0423
            6   C8y C    26.4802  -18.1439
            7   C8y C    21.6465  -18.1439
            8   C8x C    22.8374  -16.0423
            9   C8x C    22.8374  -20.2455
            10  C8x C    25.2193  -20.2455
            11  C8x C    24.0284  -15.3417
            12  C8x C    26.4802  -15.3417
            13  C8x C    26.4802  -19.5449
            14  C8x C    27.6711  -17.4433
            15  C8y C    21.6465  -19.5449
            16  C8x C    20.3856  -17.4433
            17  C8x C    27.6711  -16.0423
            18  C8x C    20.4556  -20.2455
            19  C8y C    19.1947  -18.1439
            20  C8x C    19.1947  -19.5449
            21  O1a O    17.9623  -17.4391
BOND        25
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16   12  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 2
            20    8  11 2
            21    9  15 2
            22   10  13 1
            23   14  17 2
            24   19  20 1
            25   19  21 1

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