15384561
  CDK     1106201723

 25 25  0  0  0  0  0  0  0  0999 V2000
    8.0802    3.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4309    5.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    3.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    4.3152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0332    4.8002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7783    5.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9533    5.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6983    4.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    3.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6513    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9369    1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223    0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2223   -0.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -1.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8178    4.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -2.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -3.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -4.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -5.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -5.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0 
  2 18  1  0  0  0  0 
  3 18  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5 18  1  1  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9 10  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 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:165557

> <NAME>
N-Palmitoyl proline

> <STAR>
2

> <IUPAC_NAME>
(2S)-1-hexadecanoylpyrrolidine-2-carboxylic acid

> <FORMULA>
C21H39NO3

> <MASS>
353.547

> <MONOISOTOPIC_MASS>
353.29299

> <CHARGE>
0

> <SMILES>
O=C(N1[C@@H](CCC1)C(O)=O)CCCCCCCCCCCCCCC

> <INCHI>
InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)/t19-/m0/s1

> <INCHIKEY>
XOAIXMQPJQVGRV-IBGZPJMESA-N

> <CAS_REGISTRY_NUMBER>
59441-32-6

> <CHEMIDPLUS>
59441-32-6

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA08020117

$$$$