LMFA01150025
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  0     0  0            999 V2000
   -3.5676   -0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7748   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820   -0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1892   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637   -0.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3965   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892   -0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676   -0.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9104    0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1176    0.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6561    1.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5001   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4329   -0.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5001   -0.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4329   -0.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5001   -1.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  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
  9 10  1  0     0  0
  4 11  2  0     0  0
  6 12  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  1 14  1  0     0  0
 14 15  1  0     0  0
 10 16  1  0     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
M  END
> <LM_ID>
LMFA01150025

> <COMMON_NAME>
5-(3-methyl-5-pentylfuran-2-yl)-pentanoic acid

> <SYSTEMATIC_NAME>
5-(5-pentyl-3-methylfuran-2-yl)-pentanoic acid

> <FORMULA>
C15H24O3

> <MASS>
252.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Heterocyclic fatty acids [FA0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5M5; 3-methyl-5-pentyl-2-furanpentanoic acid

> <INCHI_KEY>
OVQQXXHYNCJQNP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H24O3/c1-3-4-5-8-13-11-12(2)14(18-13)9-6-7-10-15(16)17/h11H,3-10H2,1-2H3,(H,16,17)

> <SMILES>
C(CC)CCC1=CC(C)=C(CCCCC(=O)O)O1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0112086

> <CHEBI_ID>
191627

> <ABBREVIATION>
FA 15:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
54171982

> <LIPIDBANK_ID>
-

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
24

> <CITATION>
29051014

$$$$