KEGG   COMPOUND: C13910Help
Entry
C13910                      Compound                               

Name
Undecylenic acid;
Undecenoic acid
Formula
C11H20O2
Exact mass
184.1463
Mol weight
184.2753
Structure
Mol fileKCF fileDB search
Remark
Same as: D02159
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
      D02159  Undecylenic acid (JAN/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  58 Ringworm drugs
   D02159  Undecylenic acid (JAN/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Undecylenic acid
    D02159  Undecylenic acid (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 112-38-9
PubChem: 854155
ChEBI: 35045
ChEMBL: CHEMBL1276010
NIKKAJI: J5.125J
LinkDB All DBs
KCF data Show

ATOM        13
            1   C1b C    26.6638  -19.0201
            2   C1b C    27.8283  -19.7187
            3   C1b C    25.4528  -19.7187
            4   C1b C    29.0394  -19.0201
            5   C1b C    24.2418  -19.0201
            6   C2b C    30.2504  -19.7187
            7   C1b C    23.0308  -19.7187
            8   C1b C    21.8197  -19.0201
            9   C1b C    20.6086  -19.7187
            10  C6a C    19.3976  -19.0201
            11  O6a O    18.1866  -19.7187
            12  O6a O    19.3976  -17.6227
            13  C2a C    31.5080  -18.9735
BOND        12
            1     6  13 2
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     4   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2

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