KEGG   DRUG: Octanoic acid
Entry
D05220                      Drug                                   
Name
Octanoic acid (USAN/INN);
Caprylic acid (NF)
Formula
C8H16O2
Exact mass
144.115
Mol weight
144.2114
Structure
Simcomp
Remark
Same as: C06423
Efficacy
Antifungal
Structure map
map07011  Penicillins
Other DBs
CAS: 124-07-2
PubChem: 47206939
ChEBI: 28837
PDB-CCD: OCA[PDBj]
LigandBox: D05220
NIKKAJI: J2.013C
KCF data

ATOM        10
            1   C1b C    23.8599  -17.3604
            2   C1b C    25.0768  -18.0592
            3   C1b C    22.6486  -18.0592
            4   C1b C    26.2881  -17.3604
            5   C6a C    21.4316  -17.3604
            6   C1b C    27.4992  -18.0592
            7   O6a O    20.2205  -18.0592
            8   O6a O    21.4316  -15.9570
            9   C1b C    28.7162  -17.3604
            10  C1a C    29.9216  -18.0592
BOND        9
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     5   8 2
            8     6   9 1
            9     9  10 1

» Japanese version   » Back

  All links  
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (8)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (10)   

Download RDF
DBGET integrated database retrieval system