LMGP03010020
  LIPID_MAPS_STRUCTURE_DATABASE

 32 31  0  0  0  0  0  0  0  0999 V2000
   16.0237    7.8372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7839    7.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0637    7.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3434    7.2261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233    7.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233    8.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001    6.5059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3675    6.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9032    7.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    7.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2245    7.2261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0075    7.2088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7278    6.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4481    7.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1684    6.7928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2493    7.5174    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.8823    6.8814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2493    8.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    6.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930    6.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1070    7.7995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0237    8.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6515    7.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1675    6.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4416    6.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7158    6.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9900    6.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1775    7.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4517    7.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7258    7.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.2261    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0
  5  9  1  0  0  0  0
  2  8  1  6  0  0  0
  2  7  1  1  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19  8  1  0  0  0  0
 16 11  1  0  0  0  0
 14 22  1  6  0  0  0
 14  1  1  1  0  0  0
  1 23  2  0  0  0  0
  1 24  1  0  0  0  0
 21 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
  9 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <LM_ID>
LMGP03010020

> <COMMON_NAME>
PS 6:0/6:0

> <SYSTEMATIC_NAME>
1,2-dihexanoyl-sn-glycero-3-phosphoserine

> <FORMULA>
C18H34NO10P

> <MASS>
455.19

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphoserines [GP03]

> <SUB_CLASS>
Diacylglycerophosphoserines [GP0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1,2-dicaproyl-sn-glycero-3-phosphoserine;1,2-dicaproyl-sn-phosphatidyl-L-serine; PS(12:0); PS(6:0/6:0)

> <INCHI_KEY>
MIQYPPGTNIFAPO-CABCVRRESA-N

> <INCHI>
InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1

> <SMILES>
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC)=O)COC(CCCCC)=O)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191271

> <ABBREVIATION>
PS 12:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000005401

> <PUBCHEM_COMPOUND_ID>
9547083

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$