LMPR0104010039
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -1.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7943   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2583   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 16 18  1  0     0  0
 14 19  1  0     0  0
 10 20  1  0     0  0
  6 21  1  0     0  0
  2 22  1  0     0  0
M  END
> <LM_ID>
LMPR0104010039

> <COMMON_NAME>
Geranylgeranoic acid

> <SYSTEMATIC_NAME>
3,7,11,15-tetramethyl-(2E,6E,10E,14E)-hexadecatetraenoic acid

> <FORMULA>
C20H32O2

> <MASS>
304.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Acyclic diterpenoids [PR010401]

> <SYNONYMS>
Geranylgeranic acid

> <INCHI_KEY>
SZNLKILVMCHHSD-OZFNKYQOSA-N

> <INCHI>
InChI=1S/C20H32O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h9,11,13,15H,6-8,10,12,14H2,1-5H3,(H,21,22)/b17-11+,18-13+,19-15+

> <SMILES>
C/C(/C)=C\CC/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/C(O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
84971

> <ABBREVIATION>
FA 20:4

> <CAYMAN_ID>
9003474

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5275521

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
50507; 9606

> <CITATION>
15060084; 30622150

$$$$