46891828
  -OEChem-05302104312D

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 46115  1  0  0  0  0
 46116  1  0  0  0  0
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 49119  1  0  0  0  0
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 49121  1  0  0  0  0
 50 51  1  0  0  0  0
 50122  1  0  0  0  0
 50123  1  0  0  0  0
 51 52  1  0  0  0  0
 51124  1  0  0  0  0
 52125  1  0  0  0  0
 52126  1  0  0  0  0
M  CHG  2   2   1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
46891828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
875

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
41

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAICCAAABxCIQCDSCIAAAAAgAAAICAEAAAgBEBIAAQACQAAFgAALAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2,3-dihydroxypropyl [(2R)-3-(1-oxohexadecoxy)-2-[(Z)-1-oxooctadec-9-enoxy]propyl] phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2,3-dihydroxypropyl [(2<I>R</I>)-3-hexadecanoyloxy-2-[(<I>Z</I>)-octadec-9-enoyl]oxypropyl] phosphate

> <PUBCHEM_IUPAC_NAME>
sodium;2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2,3-bis(oxidanyl)propyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;glyceryl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C40H77O10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);/q;+1/p-1/b18-17-;/t37?,38-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
FJXDNGDRHUDFST-XQYKCTAGSA-M

> <PUBCHEM_EXACT_MASS>
770.50737990

> <PUBCHEM_MOLECULAR_FORMULA>
C40H76NaO10P

> <PUBCHEM_MOLECULAR_WEIGHT>
771.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]

> <PUBCHEM_CACTVS_TPSA>
152

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
770.50737990

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
52

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
2  9  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
51  11  3
45  4  5

$$$$
