LMFA07070133
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -1.8540    2.4299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8539    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0355    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3896    0.8769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5402   -0.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4632    0.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4632    0.8226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3576   -0.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -1.4327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3576   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4819   -1.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3058   -2.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5945    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4648    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3350    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2053    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0756    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9458    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5945    2.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  4  3  1  6  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  6     0  0
M  CHG  2  10  -1  11   1
M  END
> <LM_ID>
LMFA07070133

> <COMMON_NAME>
3S-hydroxyoctanoylcarnitine

> <SYSTEMATIC_NAME>
3S-{[-3-hydroxyoctanoyl]oxy}-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C15H29NO5

> <MASS>
303.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LUBMSOHGUAAXAM-QWHCGFSZSA-N

> <INCHI>
InChI=1S/C15H29NO5/c1-5-6-7-8-12(17)9-15(20)21-13(10-14(18)19)11-16(2,3)4/h12-13,17H,5-11H2,1-4H3/t12-,13+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
CAR 8:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117756

> <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]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$