LMFA01150067
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
    3.6655   -2.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644    2.1740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8554   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0861   -1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3168   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843   -1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9911   -1.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7604   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9513    0.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6655   -1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5706   -0.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5688    1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4869    1.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604   -1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5320    1.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5706   -1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6655    0.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  2  0     0  0
 15  2  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  5 10  2  0     0  0
  7 11  2  0     0  0
 10 11  1  0     0  0
  9 12  1  0     0  0
 12 13  1  0     0  0
 10 14  1  0     0  0
 11 15  1  0     0  0
  3 16  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
M  END
> <LM_ID>
LMFA01150067

> <COMMON_NAME>
3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid

> <SYSTEMATIC_NAME>
3-carboxy-4-methyl-5-(4-oxopentyl)-furan-2-yl-propanoic acid

> <FORMULA>
C14H18O6

> <MASS>
282.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(2-carboxyethyl)-4-methyl-5-(4-oxopentyl)-furan-3-carboxylic acid; 3-carboxy-4-methyl-5-(3-acetyl-propyl)-furan-2-yl-propanoic acid

> <INCHI_KEY>
OWPHNZJOHJVXST-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C14H18O6/c1-8(15)4-3-5-10-9(2)13(14(18)19)11(20-10)6-7-12(16)17/h3-7H2,1-2H3,(H,16,17)(H,18,19)

> <SMILES>
O=C(O)CCC1=C(C(O)=O)C(C)=C(O1)CCCC(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185438

> <ABBREVIATION>
FA 14:5;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812142

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9606

> <CITATION>
544607

$$$$