Marvin  05141309382D          

 27 26  0  0  0  0            999 V2000
   13.9437   -7.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2293   -8.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6582   -5.8486    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.0871   -5.8486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3726   -8.7360    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.6582   -8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6582   -7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3726   -7.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0871   -9.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2293   -7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5148   -7.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8004   -7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0859   -7.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3714   -7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570   -7.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3726   -6.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9425   -7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2280   -7.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5137   -7.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7991   -7.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0846   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3701   -7.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6556   -7.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411   -7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8005   -8.3235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3726   -9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0871   -8.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  3 16  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 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
 10  1  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 12 25  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END
> <ID>
CHEBI:73063

> <NAME>
3-hydroxytetradecanoylcarnitine

> <DEFINITION>
An O-acylcarnitine having 3-hydroxytetradecanoyl as the acyl substituent.

> <STAR>
3

> <SYNONYM>
3-hydroxymyristoylcarnitine; 3-[(3-hydroxytetradecanoyl)oxy]-4-(trimethylammonio)butanoate

> <IUPAC_NAME>
3-[(3-hydroxytetradecanoyl)oxy]-4-(trimethylazaniumyl)butanoate

> <FORMULA>
C21H41NO5

> <MASS>
387.55390

> <MONOISOTOPIC_MASS>
387.29847

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-18(23)15-21(26)27-19(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3

> <INCHIKEY>
GFAZJTUXMHGTOC-UHFFFAOYSA-N

> <PUBMED_CITATION>
23315938

$$$$