LMFA07070037
  LIPID_MAPS_STRUCTURE_DATABASE

 17 16  0  0  0  0            999 V2000
    9.7102   -7.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4246   -7.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1390   -7.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1390   -8.2564    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.8535   -7.0189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957   -7.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957   -6.1940    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.9957   -5.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629   -8.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2794   -8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957   -8.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957   -9.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8465   -8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5630   -9.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102   -5.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2812   -5.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102   -8.2564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  1 17  1  0  0  0  0
  3  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  CHG  2   4  -1   7   1
M  END
> <LM_ID>
LMFA07070037

> <COMMON_NAME>
3-hydroxybutyrylcarnitine

> <SYSTEMATIC_NAME>
3-[(3-hydroxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C11H21NO5

> <MASS>
247.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-[(3-hydroxybutanoyl)oxy]-4-(trimethylammonio)butanoate;beta-hydroxybutyrylcarnitine

> <INCHI_KEY>
UEFRDQSMQXDWTO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C11H21NO5/c1-8(13)5-11(16)17-9(6-10(14)15)7-12(2,3)4/h8-9,13H,5-7H2,1-4H3

> <SMILES>
C(C[N+](C)(C)C)(OC(=O)CC(O)C)CC(=O)[O-]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
72995

> <ABBREVIATION>
CAR 4:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71464477

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$