KEGG   COMPOUND: C17714
Entry
C17714                      Compound                               
Name
Heptanoic acid
Formula
C7H14O2
Exact mass
130.0994
Mol weight
130.18
Structure
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Monocarboxylic acids
    C17714  Enanthate; Heptanoate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0101 Straight chain fatty acids
    C17714  Heptanoic acid
Other DBs
CAS: 111-14-8
PubChem: 96024044
ChEBI: 45571
LIPIDMAPS: LMFA01010007
PDB-CCD: SHV[PDBj]
NIKKAJI: J1.985B
KCF data

ATOM        9
            1   C1b C    35.0700  -29.7500
            2   C1a C    36.3300  -29.1200
            3   C1b C    33.8800  -29.1200
            4   C1b C    32.6900  -29.7500
            5   C1b C    31.5700  -29.1200
            6   C1b C    30.3100  -29.8200
            7   C6a C    29.1200  -29.1900
            8   O6a O    27.8600  -29.8200
            9   O6a O    29.1200  -27.7900
BOND        8
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 2

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Chemical substance (14)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   LIPIDMAPS (1)   
   MASSBANK (7)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (14)   

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