KEGG   COMPOUND: C14470Help
Entry
C14470                      Compound                               

Name
3-Methylcholanthrene
Formula
C21H16
Exact mass
268.1252
Mol weight
268.3517
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 Enzymes
  Oxidoreductases
   cytochrome P450, family 1, subfamily A, polypeptide 1
    C14470  3-Methylcholanthrene
BRITE hierarchy
Other DBs
CAS: 56-49-5
PubChem: 17395470
ChEBI: 34342
ChEMBL: CHEMBL40583
NIKKAJI: J2.319A
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8x C    22.8718  -19.6523
            2   C8y C    22.8718  -21.0305
            3   C8y C    24.0683  -21.7195
            4   C8x C    24.0683  -18.9632
            5   C8y C    25.2575  -19.6523
            6   C8y C    25.2517  -21.0305
            7   C8x C    26.4423  -21.7246
            8   C8y C    26.4542  -18.9684
            9   C8y C    27.6448  -19.6624
            10  C8y C    27.6310  -21.0371
            11  C8x C    28.8165  -21.7350
            12  C8x C    30.0130  -21.0587
            13  C8y C    30.0255  -19.6840
            14  C8y C    28.8413  -18.9861
            15  C8x C    21.6807  -21.7199
            16  C8x C    21.6822  -23.0961
            17  C8x C    22.8787  -23.7851
            18  C8x C    24.0698  -23.0957
            19  C1x C    28.4302  -17.4327
            20  C1x C    26.8582  -17.4829
            21  C1a C    31.2225  -19.0072
BOND        25
            1     9   8 2
            2     8   5 1
            3     5   4 2
            4     4   1 1
            5     1   2 2
            6     2   3 1
            7     3   6 2
            8     9  10 1
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14   9 1
            14    5   6 1
            15    6   7 1
            16    7  10 2
            17    2  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21    3  18 1
            22   14  19 1
            23   19  20 1
            24   20   8 1
            25   13  21 1

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