
 oleoyl-thiophosphate

161160  0  0  0  0  0  0  0  0999 V2000
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    8.7794   13.2949  -10.3009 H   0  0  0  0  0
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   23.0624   15.5330   -2.4064 H   0  0  0  0  0
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M  END

>  <Chemical Name>
oleoyl-thiophosphate

>  <PubChem CID>
73755251

>  <Formula>
C54H99O6PS

>  <Molecular Weight>
907.414000

>  <IUPAC Name>
[[(Z)-octadec-9-enoyl]oxy-[(Z)-octadec-9-enoyl]sulfanylphosphoryl] (Z)-octadec-9-enoate

>  <XlogP>
22.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OP(=O)(OC(=O)CCCCCCCC=CCCCCCCCC)SC(=O)CCCCCCCC=CCCCCCCCC

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(SC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC

>  <InChI Std. ID>
InChI=1S/C54H99O6PS/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(55)59-61(58,60-53(56)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)62-54(57)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-51H2,1-3H3/b28-25-,29-26-,30-27-

>  <InChI Key>
VZTWVTAPKVGVJL-IUPFWZBJSA-N

