LMFA07070038
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0            999 V2000
    7.3736   -5.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590   -5.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9445   -5.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2300   -5.8541    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3736   -4.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9447   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0880   -5.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0880   -6.6794    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.0880   -7.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2394   -4.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5228   -4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8064   -4.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0900   -4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0900   -3.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5228   -3.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9538   -4.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6683   -4.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6683   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3828   -5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3735   -7.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8025   -7.0919    0.0000 C   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  5  1  0  0  0  0
  3  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <LM_ID>
LMFA07070038

> <COMMON_NAME>
3-hydroxy-cis-5-octenoylcarnitine

> <SYSTEMATIC_NAME>
3-{[(5Z)-3-hydroxyoct-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C15H27NO5

> <MASS>
301.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Fatty acyl carnitines [FA0707]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(Z)-3-hydroxy-5-octenoylcarnitine;3-{[(5Z)-3-hydroxyoct-5-enoyl]oxy}-4-(trimethylammonio)butanoate

> <INCHI_KEY>
YVCSXKPTXFIUHA-SREVYHEPSA-N

> <INCHI>
InChI=1S/C15H27NO5/c1-5-6-7-8-12(17)9-15(20)21-13(10-14(18)19)11-16(2,3)4/h6-7,12-13,17H,5,8-11H2,1-4H3/b7-6-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
73043

> <ABBREVIATION>
CAR 8:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71464491

> <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>
-

$$$$