LMGP10060006
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0     0  0            999 V2000
    5.0077    0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1468   -0.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2861    0.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7298    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5908   -0.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7223   -0.1467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    0.2223    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.3772   -0.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    1.1288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6895   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0456   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9134    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6487    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5162   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3839    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2516   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1192    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9869   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8545    0.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7223   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8638   -0.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3638   -0.9949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5709   -0.8359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5883    0.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4543   -0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  6  5  1  0     0  0
  8  7  1  0     0  0
  8  9  1  0     0  0
  8 10  2  0     0  0
  8  6  1  0     0  0
  4 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  5 25  1  0     0  0
  1 25  1  0     0  0
 25 26  1  6     0  0
 25 27  1  1     0  0
 24 28  1  0     0  0
 28 29  1  0     0  0
M  END
> <LM_ID>
LMGP10060006

> <COMMON_NAME>
PA O-18:1/0:0

> <SYSTEMATIC_NAME>
1-(9E-octadecyl)-sn-glycero-3-phosphate

> <FORMULA>
C21H43O6P

> <MASS>
422.28

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphates [GP10]

> <SUB_CLASS>
Monoalkylglycerophosphates [GP1006]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-alkyl-(C18:1)-glycerol-3-phosphate

> <INCHI_KEY>
SEMUMSNWRXJZTJ-LCCNJJIFSA-N

> <INCHI>
InChI=1S/C21H43O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h9-10,21-22H,2-8,11-20H2,1H3,(H2,23,24,25)/b10-9+/t21-/m1/s1

> <SMILES>
C([C@@]([H])(O)COP(=O)(O)O)OCCCCCCCC/C=C/CCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185097

> <ABBREVIATION>
LPA O-18:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
124603690

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
28089346

$$$$