KEGG   COMPOUND: C14335
Entry
C14335                      Compound                               

Name
Pyrene
Formula
C16H10
Exact mass
202.0783
Mol weight
202.2506
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.-.-
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14335  Pyrene
Other DBs
CAS: 129-00-0
PubChem: 17395335
ChEBI: 39106
ChEMBL: CHEMBL279564
PDB-CCD: 8P0[PDBj]
NIKKAJI: J2.940H
KCF data

ATOM        16
            1   C8x C    25.8300  -17.2900
            2   C8x C    25.8300  -18.6900
            3   C8x C    27.0424  -19.3900
            4   C8y C    28.2549  -18.6900
            5   C8y C    28.2549  -17.2900
            6   C8y C    27.0424  -16.5900
            7   C8y C    29.4673  -16.5900
            8   C8y C    29.4673  -15.1900
            9   C8x C    28.2549  -14.4900
            10  C8x C    27.0424  -15.1900
            11  C8x C    29.4673  -19.3900
            12  C8x C    30.6797  -18.6900
            13  C8y C    30.6797  -17.2900
            14  C8x C    31.8922  -16.5900
            15  C8x C    31.8922  -15.1900
            16  C8x C    30.6797  -14.4900
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12    4  11 1
            13   11  12 2
            14   12  13 1
            15    7  13 1
            16   13  14 2
            17   14  15 1
            18   15  16 2
            19    8  16 1

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