Mrv0541 05131410102D          

 27 26  0  0  1  0            999 V2000
    9.1622  -11.7377    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4478  -12.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333  -11.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0188  -12.1502    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3044  -11.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5900  -12.1503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0188  -12.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755  -11.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1622  -10.9127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8767  -12.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3757  -12.5346    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.5910  -11.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3055  -12.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0200  -11.7377    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.0200  -10.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7345  -12.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7345  -11.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1610  -12.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466  -11.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7321  -12.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176  -11.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031  -12.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5887  -11.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1258  -12.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403  -11.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5547  -12.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8755  -10.9128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  6  0  0  0
  6  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
 10 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
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 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
 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
 25 26  1  0  0  0  0
  8 27  2  0  0  0  0
M  CHG  2  11  -1  14   1
M  END
> <ID>
CHEBI:77726

> <NAME>
1-decanoyl-sn-glycero-3-phosphocholine

> <DEFINITION>
A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as capryl (decanoyl).

> <STAR>
3

> <SYNONYM>
PC(10:0/0:0); Lysophosphatidylcholine(10:0/0:0); Lysophosphatidylcholine(10:0); LysoPC(10:0/0:0); LysoPC(10:0); LyPC(10:0/0:0); LyPC(10:0); LPC(10:0/0:0); LPC 10:0/0:0; 1-Decanoyllysolecithin; 1-Decanoyl-sn-glycerol-3-phosphorylcholine; 1-decanoyl-sn-glycero-3-phosphocholine betaine; 1-decanoyl-sn-glycero-3-phosphocholine; 1-capryl-sn-glycero-3-phosphocholine; 1-Capryl-L-alpha-phosphorylcholine; 1-Capryl-2-lysophosphatidylcholine

> <IUPAC_NAME>
(2R)-3-(decanoyloxy)-2-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate

> <FORMULA>
C18H38NO7P

> <MASS>
411.47060

> <MONOISOTOPIC_MASS>
411.23859

> <CHARGE>
0

> <SMILES>
CCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C

> <INCHI>
InChI=1S/C18H38NO7P/c1-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19(2,3)4/h17,20H,5-16H2,1-4H3/t17-/m1/s1

> <INCHIKEY>
SECPDKKEUKDCPG-QGZVFWFLSA-N

> <REAXYS_REGISTRY_NUMBER>
5631430

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP01050005

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