Marvin  08281315102D          

 32 31  0  0  1  0            999 V2000
    9.9134   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6278   -4.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7711   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4857   -4.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0567   -4.8440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3422   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9134   -3.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2001   -4.4315    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.2001   -3.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9146   -4.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4137   -5.2284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7723   -4.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0579   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6289   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3435   -4.8440    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1989   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7700   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0556   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3410   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6267   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977   -4.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833   -4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833   -5.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977   -6.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9122   -5.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6267   -6.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3410   -5.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0556   -6.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0567   -5.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3435   -5.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  1  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 13 15  1  0  0  0  0
  1 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
 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5 31  1  6  0  0  0
 15 32  1  6  0  0  0
M  END
> <ID>
CHEBI:75376

> <NAME>
1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

> <DEFINITION>
A 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which the 1-acyl substituent is specified as hexadecanoyl (palmitoyl).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:73093

> <SYNONYM>
PG(16:0/0:0); LPG(16:0/0:0); 1-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

> <IUPAC_NAME>
(2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropyl palmitate

> <FORMULA>
C22H45O9P

> <MASS>
484.56110

> <MONOISOTOPIC_MASS>
484.28012

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@@H](O)CO

> <INCHI>
InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/t20-,21+/m0/s1

> <INCHIKEY>
BVJSKAUUFXBDOB-LEWJYISDSA-N

> <REAXYS_REGISTRY_NUMBER>
15462938

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP04050008

$$$$