KEGG   DRUG: Zinc undecylenate
Entry
D01124                      Drug                                   
Name
Zinc undecylenate (JAN/USP);
Zinc undecylenate (TN)
Formula
(C11H19O2)2. Zn
Exact mass
430.2062
Mol weight
431.9437
Structure
Simcomp
Remark
ATC code: D01AE04
Chemical structure group: DG00373
Efficacy
Antifungal
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AE Other antifungals for topical use
     D01AE04 Undecylenic acid
      D01124  Zinc undecylenate (JAN/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  58 Ringworm drugs
   D01124  Zinc undecylenate (JAN/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Undecylenic acid
    D01124  Zinc undecylenate (JAN/USP)
Other DBs
CAS: 557-08-4
PubChem: 7848187
ChEBI: 32313
LigandBox: D01124
NIKKAJI: J6.479C
KCF data

ATOM        27
            1   Z   Zn   19.5378  -18.0646 #2+
            2   C2a C    28.9281  -15.4523
            3   C2b C    27.7171  -16.1510
            4   C1b C    26.5061  -15.4523
            5   C1b C    25.2951  -16.1510
            6   C6a C    24.0842  -15.4523
            7   O6a O    22.8731  -16.1510 #-
            8   O6a O    24.0842  -14.0550
            9   C2a C    28.9429  -19.0820
            10  C2b C    27.6848  -19.7809
            11  C1b C    26.4965  -19.0820
            12  C1b C    25.3083  -19.7809
            13  C6a C    24.0501  -19.0820
            14  O6a O    22.8619  -19.7809 #-
            15  O6a O    24.0501  -17.6840
            16  C1b C    26.5061  -15.4523
            17  C1b C    25.2951  -16.1510
            18  C1b C    26.5061  -15.4523
            19  C1b C    25.2951  -16.1510
            20  C1b C    26.5061  -15.4523
            21  C1b C    25.2951  -16.1510
            22  C1b C    26.4965  -19.0820
            23  C1b C    25.3083  -19.7809
            24  C1b C    26.4965  -19.0820
            25  C1b C    25.3083  -19.7809
            26  C1b C    26.4965  -19.0820
            27  C1b C    25.3083  -19.7809
BOND        24
            1     2   3 2
            2     6   7 1
            3     6   8 2
            4     9  10 2
            5    13  14 1
            6    13  15 2
            7     3   4 1
            8     4   5 1
            9     5  16 1
            10   16  17 1
            11   17  18 1
            12   18  19 1
            13   19  20 1
            14   20  21 1
            15   21   6 1
            16   10  11 1
            17   11  12 1
            18   12  22 1
            19   22  23 1
            20   23  24 1
            21   24  25 1
            22   25  26 1
            23   26  27 1
            24   27  13 1
BRACKET     1    25.0600  -17.0800   25.0600  -14.9800
            1    26.6000  -14.9800   26.6000  -17.0800
            1  4
 ORIGINAL  1    4   5
 REPEAT    1   16  17  18  19  20  21
            2    25.0600  -20.7200   25.0600  -18.6200
            2    26.6000  -18.6200   26.6000  -20.7200
            2  4
 ORIGINAL  2   11  12
 REPEAT    2   22  23  24  25  26  27

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (8)   

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