KEGG   COMPOUND: C12491Help
Entry
C12491                      Compound                               

Name
Pyrrolnitrin
Formula
C10H6Cl2N2O2
Exact mass
255.9806
Mol weight
257.0728
Structure
Mol fileKCF fileDB search
Remark
Same as: D01094
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00790  Pyrrolnitrin biosynthesis, tryptophan => pyrrolnitrin
Enzyme
1.14.13.-
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AA Antibiotics
     D01AA07 Pyrrolnitrin
      D01094  Pyrrolnitrin (JP17/USAN/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  58 Ringworm drugs
   D01094  Pyrrolnitrin (JP17/USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Pyrrolnitrin
    D01094  Pyrrolnitrin (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01094  Pyrrolnitrin
BRITE hierarchy
Other DBs
CAS: 1018-71-9
PubChem: 582881
ChEBI: 32079
ChEMBL: CHEMBL97972
KNApSAcK: C00018726
NIKKAJI: J7.221D
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    26.5938  -18.9056
            2   C8x C    26.2274  -20.2543
            3   N4x N    27.3970  -21.0195
            4   C8x C    28.4859  -20.1436
            5   C8y C    27.9897  -18.9073
            6   C8x C    23.1743  -16.5077
            7   C8y C    23.1743  -17.9124
            8   C8y C    24.3938  -18.6148
            9   C8y C    25.6061  -17.9124
            10  C8x C    25.6061  -16.5077
            11  C8x C    24.3938  -15.8053
            12  X   Cl   28.7588  -17.6618
            13  N2b N    24.3255  -20.0195 #+
            14  X   Cl   21.9581  -18.6155
            15  O3a O    23.1098  -20.7234 #-
            16  O3a O    25.4011  -20.8622
BOND        17
            1     5   1 1
            2     6   7 2
            3     7   8 1
            4     8   9 2
            5     9  10 1
            6    10  11 2
            7    11   6 1
            8     9   1 1
            9     5  12 1
            10    1   2 2
            11    8  13 1
            12    2   3 1
            13    7  14 1
            14    3   4 1
            15   13  15 1
            16   13  16 2
            17    4   5 2

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