LMFA07070041
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0  0  0  0            999 V2000
    4.6225   -6.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225   -8.4889    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9081   -7.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3369   -4.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4791   -4.7764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936   -6.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7659   -6.4264    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0515   -6.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3369   -6.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4804   -6.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3369   -7.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225   -7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225   -5.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081   -4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936   -5.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1936   -4.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7659   -7.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4804   -6.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  CHG  2   2  -1   7   1
M  END
> <LM_ID>
LMFA07070041

> <COMMON_NAME>
3-hydroxyisovalerylcarnitine

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

> <FORMULA>
C12H23NO5

> <MASS>
261.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate

> <INCHI_KEY>
IGLHHSKNBDXCEY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H23NO5/c1-12(2,17)7-11(16)18-9(6-10(14)15)8-13(3,4)5/h9,17H,6-8H2,1-5H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
73027

> <ABBREVIATION>
CAR 5:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71464474

> <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>
Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$